Chemoinformaics analysis of OLEAGENIN
Molecular Weight | 372.505 | nRot | 1 |
Heavy Atom Molecular Weight | 340.249 | nRig | 26 |
Exact Molecular Weight | 372.23 | nRing | 5 |
Solubility: LogS | -4.741 | nHRing | 1 |
Solubility: LogP | 3.472 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 62.9554 |
nHD | 1 | BPOL | 35.5746 |
QED | 0.743 |
Synth | 5.966 |
Natural Product Likeliness | 2.427 |
NR-PPAR-gamma | 0.388 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.191 |
Pgp-sub | 0.021 |
HIA | 0.009 |
CACO-2 | -5.06 |
MDCK | 0.0000213 |
BBB | 0.663 |
PPB | 0.968093 |
VDSS | 1.505 |
FU | 0.033369 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.93 |
CYP2c19-inh | 0.074 |
CYP2c19-sub | 0.833 |
CYP2c9-inh | 0.211 |
CYP2c9-sub | 0.816 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.61 |
CYP3a4-inh | 0.423 |
CYP3a4-sub | 0.203 |
CL | 19.287 |
T12 | 0.226 |
hERG | 0.005 |
Ames | 0.016 |
ROA | 0.941 |
SkinSen | 0.052 |
Carcinogencity | 0.294 |
EI | 0.419 |
Respiratory | 0.978 |
NR-Aromatase | 0.311 |
Antiviral | No |
Prediction | 0.589474 |