Chemoinformaics analysis of (-)-OLIVIL
Molecular Weight | 376.405 | nRot | 6 |
Heavy Atom Molecular Weight | 352.213 | nRig | 17 |
Exact Molecular Weight | 376.152 | nRing | 3 |
Solubility: LogS | -2.63 | nHRing | 1 |
Solubility: LogP | 1.152 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 55.017 |
nHD | 4 | BPOL | 29.285 |
QED | 0.608 |
Synth | 3.656 |
Natural Product Likeliness | 1.334 |
NR-PPAR-gamma | 0.549 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.178 |
HIA | 0.417 |
CACO-2 | -4.992 |
MDCK | 0.00000577 |
BBB | 0.105 |
PPB | 0.901602 |
VDSS | 1.033 |
FU | 0.10343 |
CYP1A2-inh | 0.045 |
CYP1A2-sub | 0.637 |
CYP2c19-inh | 0.057 |
CYP2c19-sub | 0.681 |
CYP2c9-inh | 0.136 |
CYP2c9-sub | 0.795 |
CYP2d6-inh | 0.272 |
CYP2d6-sub | 0.87 |
CYP3a4-inh | 0.675 |
CYP3a4-sub | 0.497 |
CL | 14.512 |
T12 | 0.802 |
hERG | 0.033 |
Ames | 0.396 |
ROA | 0.528 |
SkinSen | 0.437 |
Carcinogencity | 0.151 |
EI | 0.038 |
Respiratory | 0.02 |
NR-Aromatase | 0.862 |
Antiviral | No |
Prediction | 0.551236 |