Chemoinformaics analysis of Corbisterol
Molecular Weight | 410.686 | nRot | 5 |
Heavy Atom Molecular Weight | 364.318 | nRig | 0 |
Exact Molecular Weight | 410.355 | nRing | 4 |
Solubility: LogS | -5.879 | nHRing | 0 |
Solubility: LogP | 6.398 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 76 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 29 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 79.9045 |
nHD | 1 | BPOL | 46.1475 |
QED | 0.459 |
Synth | 2.649 |
Natural Product Likeliness | 0.656 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0 |
HIA | 0.003 |
CACO-2 | -4.499 |
MDCK | 0.0000102 |
BBB | 0.186 |
PPB | 0.982915 |
VDSS | 2.268 |
FU | 0.0212713 |
CYP1A2-inh | 0.394 |
CYP1A2-sub | 0.328 |
CYP2c19-inh | 0.292 |
CYP2c19-sub | 0.543 |
CYP2c9-inh | 0.184 |
CYP2c9-sub | 0.706 |
CYP2d6-inh | 0.152 |
CYP2d6-sub | 0.138 |
CYP3a4-inh | 0.71 |
CYP3a4-sub | 0.109 |
CL | 6.713 |
T12 | 0.157 |
hERG | 0.151 |
Ames | 0.006 |
ROA | 0.027 |
SkinSen | 0.918 |
Carcinogencity | 0.041 |
EI | 0.912 |
Respiratory | 0.635 |
NR-Aromatase | 0.034 |
Antiviral | No |
Prediction | 0.705946 |