Table 1.
FragMaps and FragMap features | Pharmacophore featuresa |
---|---|
APOLAR (AROM+ALIP) | AROM|ALIP |
HBDON | - |
HBACC | HBACC |
POS | - |
NEG | NEG |
AROM | AROM |
ALIP | ALIP |
HBDONp | HBDON |
POSp | POS |
MEOO | - |
MEOH | - |
FORN | - |
Only basic pharmacophore features are shown here for hydrogen bond donor and acceptors, donor and acceptor joint pharmacophore features are also available as described in the text.