Chemoinformaics analysis of Cis Clovamide
Molecular Weight | 359.334 | nRot | 6 |
Heavy Atom Molecular Weight | 342.198 | nRig | 15 |
Exact Molecular Weight | 359.1 | nRing | 2 |
Solubility: LogS | -1.837 | nHRing | 0 |
Solubility: LogP | 0.7 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 48.1095 |
nHD | 6 | BPOL | 19.3605 |
QED | 0.39 |
Synth | 2.727 |
Natural Product Likeliness | 0.374 |
NR-PPAR-gamma | 0.857 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.016 |
HIA | 0.975 |
CACO-2 | -5.883 |
MDCK | 0.00000736 |
BBB | 0.01 |
PPB | 0.931298 |
VDSS | 0.367 |
FU | 0.0506241 |
CYP1A2-inh | 0.226 |
CYP1A2-sub | 0.051 |
CYP2c19-inh | 0.094 |
CYP2c19-sub | 0.037 |
CYP2c9-inh | 0.486 |
CYP2c9-sub | 0.287 |
CYP2d6-inh | 0.107 |
CYP2d6-sub | 0.209 |
CYP3a4-inh | 0.071 |
CYP3a4-sub | 0.1 |
CL | 10.94 |
T12 | 0.959 |
hERG | 0.019 |
Ames | 0.573 |
ROA | 0.026 |
SkinSen | 0.919 |
Carcinogencity | 0.149 |
EI | 0.428 |
Respiratory | 0.048 |
NR-Aromatase | 0.025 |
Antiviral | Yes |
Prediction | 0.555888 |