Chemoinformaics analysis of SATIVAN
Molecular Weight | 286.327 | nRot | 3 |
Heavy Atom Molecular Weight | 268.183 | nRig | 17 |
Exact Molecular Weight | 286.121 | nRing | 3 |
Solubility: LogS | -4.201 | nHRing | 1 |
Solubility: LogP | 3.614 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 43.6003 |
nHD | 1 | BPOL | 23.2657 |
QED | 0.941 |
Synth | 2.651 |
Natural Product Likeliness | 0.969 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.008 |
Pgp-sub | 0.033 |
HIA | 0.004 |
CACO-2 | -4.801 |
MDCK | 0.0000215 |
BBB | 0.094 |
PPB | 0.978866 |
VDSS | 1.028 |
FU | 0.02122 |
CYP1A2-inh | 0.952 |
CYP1A2-sub | 0.965 |
CYP2c19-inh | 0.93 |
CYP2c19-sub | 0.868 |
CYP2c9-inh | 0.631 |
CYP2c9-sub | 0.934 |
CYP2d6-inh | 0.845 |
CYP2d6-sub | 0.954 |
CYP3a4-inh | 0.707 |
CYP3a4-sub | 0.764 |
CL | 12.206 |
T12 | 0.501 |
hERG | 0.193 |
Ames | 0.517 |
ROA | 0.071 |
SkinSen | 0.827 |
Carcinogencity | 0.708 |
EI | 0.463 |
Respiratory | 0.568 |
NR-Aromatase | 0.498 |
Antiviral | Yes |
Prediction | 0.729317 |