Chemoinformaics analysis of BENZAMIDE
Molecular Weight | 121.139 | nRot | 1 |
Heavy Atom Molecular Weight | 114.083 | nRig | 14 |
Exact Molecular Weight | 121.053 | nRing | 1 |
Solubility: LogS | -4.106 | nHRing | 0 |
Solubility: LogP | 2.213 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 1 | APOL | 18.2596 |
nHD | 1 | BPOL | 7.32045 |
QED | 0.482 |
Synth | 2.516 |
Natural Product Likeliness | 1.222 |
NR-PPAR-gamma | 0.314 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.01 |
HIA | 0.005 |
CACO-2 | -4.638 |
MDCK | 0.000022 |
BBB | 0.023 |
PPB | 0.842224 |
VDSS | 0.856 |
FU | 0.0896841 |
CYP1A2-inh | 0.976 |
CYP1A2-sub | 0.951 |
CYP2c19-inh | 0.807 |
CYP2c19-sub | 0.438 |
CYP2c9-inh | 0.728 |
CYP2c9-sub | 0.866 |
CYP2d6-inh | 0.749 |
CYP2d6-sub | 0.854 |
CYP3a4-inh | 0.766 |
CYP3a4-sub | 0.344 |
CL | 11.991 |
T12 | 0.681 |
hERG | 0.01 |
Ames | 0.668 |
ROA | 0.226 |
SkinSen | 0.507 |
Carcinogencity | 0.857 |
EI | 0.752 |
Respiratory | 0.965 |
NR-Aromatase | 0.708 |
Antiviral | No |
Prediction | 0.901946 |