|
Descriptor
|
Type
|
Description
|
VIF
|
| nX |
Constitutional descriptors |
number of halogen atoms maximal |
2.6615 |
| MAXDN |
Topological descriptors |
Electrotopological negative variation |
4.4004 |
| MAXDP |
Topological descriptors |
maximal electrotopological positive variation |
3.5133 |
| PJI2 |
Topological descriptors |
2D Petitjean shape index |
1.7543 |
| Lop |
Topological descriptors |
Lopping centric index |
1.9696 |
| MATS1m |
2D autocorrelations |
Moran autocorrelation - lag 1 / weighted by atomic masses |
2.9735 |
| MATS2m |
2D autocorrelations |
Moran autocorrelation - lag 2 / weighted by atomic masses |
4.0324 |
| MATS4m |
2D autocorrelations |
Moran autocorrelation - lag 4 / weighted by atomic masses |
2.6631 |
| GATS2m |
2D autocorrelations |
Geary autocorrelation - lag 2 / weighted by atomic masses |
3.3624 |
| GATS4m |
2D autocorrelations |
Geary autocorrelation - lag 4 / weighted by atomic masses |
2.7846 |
| JGI2 |
Topological charge indices |
Mean topological charge index of order2 |
2.4942 |
| JGI3 |
Topological charge indices |
Mean topological charge index of order3 |
3.5132 |
| JGI4 |
Topological charge indices |
Mean topological charge index of order4 |
1.8913 |
| JGI5 |
Topological charge indices |
Mean topological charge index of order5 |
2.3317 |
| JGI6 |
Topological charge indices |
Mean topological charge index of order6 |
1.9848 |
| JGI7 |
Topological charge indices |
Mean topological charge index of order7 |
2.0805 |
| JGI8 |
Topological charge indices |
Mean topological charge index of order8 |
1.6600 |
| JGI9 |
Topological charge indices |
Mean topological charge index of order9 |
2.0077 |
| JGI10 |
Topological charge indices |
Mean topological charge index of order10 |
1.8634 |
| FDI |
Geometrical descriptors |
Folding degree index |
2.7337 |
| PJI3 |
Geometrical descriptors |
3D Petitjean shape index |
1.8725 |
| DISPm |
Geometrical descriptors |
d COMMA2 value / weighted by atomic masses |
2.3418 |
| DISPe |
Geometrical descriptors |
d COMMA2 value / weighted by atomic Sanderson electronegativities |
4.0247 |
| Mor04m |
3D-MoRSE descriptors |
3D-MoRSE - signal 04 / weighted by atomic masses |
2.4145 |
| Mor12m |
3D-MoRSE descriptors |
3D-MoRSE - signal 12 / weighted by atomic masses |
3.0770 |
| Mor17m |
3D-MoRSE descriptors |
3D-MoRSE - signal 17 / weighted by atomic masses |
1.8941 |
| Mor26m |
3D-MoRSE descriptors |
3D-MoRSE - signal 26 / weighted by atomic masses |
2.3693 |
| Mor28m |
3D-MoRSE descriptors |
3D-MoRSE - signal 28 / weighted by atomic masses |
2.5970 |
| Mor31m |
3D-MoRSE descriptors |
3D-MoRSE - signal 31 / weighted by atomic masses |
2.7935 |
| G2u |
WHIM descriptors |
2st component symmetry directional WHIM index / unweighted |
2.5765 |
| G2m |
WHIM descriptors |
2st component symmetry directional WHIM index / weighted by atomic masses |
2.7232 |
| E2m |
WHIM descriptors |
2nd component accessibility directional WHIM index / weighted by atomic masses |
2.9830 |
| G2v |
WHIM descriptors |
2st component symmetry directional WHIM index / weighted by atomic van der Waals volumes |
2.6210 |
| G2e |
WHIM descriptors |
2st component symmetry directional WHIM index / weighted by atomic Sanderson electronegativities |
3.5147 |
| G2p |
WHIM descriptors |
2st component symmetry directional WHIM index / weighted by atomic polarizabilities |
2.8308 |
| G2s |
WHIM descriptors |
2st component symmetry directional WHIM index / weighted by atomic electrotopological states |
2.9183 |
| E2s |
WHIM descriptors |
2nd Component accessibility directional WHIM index / weighted by atomic electrotopological states |
3.0706 |
| ISH |
GETAWAY descriptors |
Standardized information content on the leverage equality |
1.7718 |
| HATS4m |
GETAWAY descriptors |
Leverage-weighted autocorrelation of lag 4 / weighted by atomic masses |
3.2173 |
| C-005 |
Atom-centred fragments |
Atom-centred fragments |
2.0372 |
| C-006 |
Atom-centred fragments |
Atom-centred fragments |
2.3826 |
| C-008 |
Atom-centred fragments |
Atom-centred fragments |
2.7744 |
| C-025 |
Atom-centred fragments |
Atom-centred fragments |
2.4806 |
| C-026 |
Atom-centred fragments |
Atom-centred fragments |
3.2520 |
| C-040 |
Atom-centred fragments |
Atom-centred fragments |
3.5563 |
| H-048 |
Atom-centred fragments |
Atom-centred fragments |
1.9890 |
| H-052 |
Atom-centred fragments |
Atom-centred fragments |
2.3870 |
| O-057 |
Atom-centred fragments |
Atom-centred fragments |
2.2844 |
| O-060 |
Atom-centred fragments |
Atom-centred fragments |
2.7103 |
| N-072 |
Atom-centred fragments |
Atom-centred fragments |
2.5844 |
| N-075 |
Atom-centred fragments |
Atom-centred fragments |
2.0612 |
| Inflammat-80 |
Molecularproperties |
Ghose-Viswanadhan-Wendoloskiantiinflammatory at 80% (drug-like index) |
2.6589 |
| Hypertens-80 |
Molecularproperties |
Ghose-Viswanadhan-Wendoloski antihypertensive at 80% (drug-like index) |
2.8495 |
| Hypnotic-80 |
Molecular properties |
Ghose-Viswanadhan-Wendoloski hypnotic at 80% (drug-like index) |
2.4199 |
| Neoplastic-50 |
Molecular properties |
Ghose-Viswanadhan-Wendoloski antineoplastic at 50% (drug-like index) |
1.8707 |
