. 2020 Oct 16;33(4):766–781. doi: 10.1007/s42535-020-00162-1

Table 1.

ADME analysis of 38 phytochemicals

S. No	Compound name	PubChem ID	Analysis
1.	Nimbin	108058	Molecular weight (< 500 Da)	540.6
			Lipophilicity (LogP < 5)	2.28
			H bond donor (< 5)	0
			H bond acceptor (< 10)	9
			Violations	1
2.	Nimbolide	12313376	Molecular weight (< 500 Da)	466.5
			Lipophilicity (LogP < 5)	2.2
			H bond donor (< 5)	0
			H bond acceptor (< 10)	7
			Violations	0
3.	Azadirachtin	5281303	Molecular weight (< 500 Da)	720.21
			Lipophilicity (LogP < 5)	1.09
			H bond donor (< 5)	3
			H bond acceptor (< 10)	16
			Violations	2
4.	Salannin	6,437,066	Molecular weight (< 500 Da)	596.71
			Lipophilicity (LogP < 5)	3.93
			H bond donor (< 5)	0
			H bond acceptor (< 10)	9
			Violations	1
5.	Gedunin	12004512	Molecular weight (< 500 Da)	482.52
			Lipophilicity (LogP < 5)	4.22
			H bond donor (< 5)	0
			H bond acceptor (< 10)	7
			Violations	0
6.	Epoxyazadiradione	49863985	Molecular weight (< 500 Da)	466.57
			Lipophilicity (LogP < 5)	4.24
			H bond donor (< 5)	0
			H bond acceptor (< 10)	6
			Violations	0
7.	Curcumin	969516	Molecular weight (< 500 Da)	368.4
			Lipophilicity (LogP < 5)	3.2
			H bond donor (< 5)	2
			H bond acceptor (< 10)	6
			Violations	0
8.	Oleoresin	11979920	Molecular weight (< 500 Da)	1015.1
			Lipophilicity (LogP < 5)	9.69
			H bond donor (< 5)	6
			H bond acceptor (< 10)	15
			Violations	4
9.	Turmerone	14367555	Molecular weight (< 500 Da)	218.33
			Lipophilicity (LogP < 5)	3.3
			H bond donor (< 5)	0
			H bond acceptor (< 10)	1
			Violations	0
10.	Zingiberene	92776	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	5.2
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
11.	Curlone	196216	Molecular weight (< 500 Da)	218.33
			Lipophilicity (LogP < 5)	4
			H bond donor (< 5)	0
			H bond acceptor (< 10)	1
			Violations	0
12.	α-Curcumene	92139	Molecular weight (< 500 Da)	202.33
			Lipophilicity (LogP < 5)	5.4
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
13.	α-Santalene	94164	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	5.2
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
14.	6-Gingerol	442793	Molecular weight (< 500 Da)	294.4
			Lipophilicity (LogP < 5)	2.5
			H bond donor (< 5)	2
			H bond acceptor (< 10)	4
			Violations	0
15.	Zingerone	31211	Molecular weight (< 500 Da)	194.23
			Lipophilicity (LogP < 5)	0.8
			H bond donor (< 5)	1
			H bond acceptor (< 10)	3
			Violations	0
16.	Gingerenone-A	5281775	Molecular weight (< 500 Da)	356.4
			Lipophilicity (LogP < 5)	3.7
			H bond donor (< 5)	2
			H bond acceptor (< 10)	5
			Violations	0
17.	6-Shogaol	5,281,794	Molecular weight (< 500 Da)	276.4
			Lipophilicity (LogP < 5)	3.7
			H bond donor (< 5)	1
			H bond acceptor (< 10)	3
			Violations	0
18.	6-Dehydrogingerdione	22321203	Molecular weight (< 500 Da)	290.4
			Lipophilicity (LogP < 5)	4.2
			H bond donor (< 5)	2
			H bond acceptor (< 10)	4
			Violations	0
19.	β-Bisabolene	10104370	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	5.2
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
20.	α-Farnesene	5,281,516	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	6.1
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
21.	Apigenin	5280443	Molecular weight (< 500 Da)	270.24
			Lipophilicity (LogP < 5)	1.7
			H bond donor (< 5)	3
			H bond acceptor (< 10)	5
			Violations	0
22.	Linalool	6549	Molecular weight (< 500 Da)	154.25
			Lipophilicity (LogP < 5)	2.7
			H bond donor (< 5)	1
			H bond acceptor (< 10)	1
			Violations	0
23.	Eugenol	3314	Molecular weight (< 500 Da)	164.2
			Lipophilicity (LogP < 5)	2
			H bond donor (< 5)	1
			H bond acceptor (< 10)	2
			Violations	0
24.	β-Elemene	6918391	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	6.1
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	1
25.	α-Bergamotene	86608	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	4.8
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	0
26.	α-Guaiene	5317844	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	4.6
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	0
27.	Germacrene D	5317570	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	4.7
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	0
28.	Cubenol	519857	Molecular weight (< 500 Da)	222.37
			Lipophilicity (LogP < 5)	3.7
			H bond donor (< 5)	1
			H bond acceptor (< 10)	1
			Violations	0
29.	τ-Cadinol	160799	Molecular weight (< 500 Da)	222.37
			Lipophilicity (LogP < 5)	3.3
			H bond donor (< 5)	1
			H bond acceptor (< 10)	1
			Violations	0
30.	α-Gurjunene	15560276	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	4.1
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	0
31.	δ-Cadinene	441005	Molecular weight (< 500 Da)	204.35
			Lipophilicity (LogP < 5)	3.8
			H bond donor (< 5)	0
			H bond acceptor (< 10)	0
			Violations	0
32.	Ginsenosides	3086007	Molecular weight (< 500 Da)	444.7
			Lipophilicity (LogP < 5)	8.5
			H bond donor (< 5)	2
			H bond acceptor (< 10)	2
			Violations	1
33.	Epigallocatechin gallate	65,064	Molecular weight (< 500 Da)	458.4
			Lipophilicity (LogP < 5)	1.2
			H bond donor (< 5)	8
			H bond acceptor (< 10)	11
			Violations	2
34.	Theaflavin digallate	135403795	Molecular weight (< 500 Da)	868.7
			Lipophilicity (LogP < 5)	4.7
			H bond donor (< 5)	13
			H bond acceptor (< 10)	20
			Violations	3
35.	Genistein	5280961	Molecular weight (< 500 Da)	270.24
			Lipophilicity (LogP < 5)	2.7
			H bond donor (< 5)	3
			H bond acceptor (< 10)	5
			Violations	0
36.	Hesperidin	10621	Molecular weight (< 500 Da)	610.6
			Lipophilicity (LogP < 5)	− 1.1
			H bond donor (< 5)	8
			H bond acceptor (< 10)	15
			Violations	3
37.	Neohesperidin	442439	Molecular weight (< 500 Da)	610.6
			Lipophilicity (LogP < 5)	− 0.5
			H bond donor (< 5)	8
			H bond acceptor (< 10)	15
			Violations	3
38.	Diosmin	5281613	Molecular weight (< 500 Da)	608.5
			Lipophilicity (LogP < 5)	− 0.8
			H bond donor (< 5)	8
			H bond acceptor (< 10)	15
			Violations	3