Chemoinformaics analysis of GANODERIC-ACID-K
Molecular Weight | 574.711 | nRot | 7 |
Heavy Atom Molecular Weight | 528.343 | nRig | 26 |
Exact Molecular Weight | 574.314 | nRing | 4 |
Solubility: LogS | -3.694 | nHRing | 0 |
Solubility: LogP | 2.443 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 87 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 41 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 32 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 91.3305 |
nHD | 3 | BPOL | 52.2235 |
QED | 0.432 |
Synth | 5.368 |
Natural Product Likeliness | 2.752 |
NR-PPAR-gamma | 0.573 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.452 |
Pgp-sub | 0.175 |
HIA | 0.084 |
CACO-2 | -5.37 |
MDCK | 0.0000305 |
BBB | 0.727 |
PPB | 0.481587 |
VDSS | 0.395 |
FU | 0.450329 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.103 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.775 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.576 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.134 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.173 |
CL | 10.015 |
T12 | 0.282 |
hERG | 0.001 |
Ames | 0.006 |
ROA | 0.991 |
SkinSen | 0.021 |
Carcinogencity | 0.023 |
EI | 0.045 |
Respiratory | 0.815 |
NR-Aromatase | 0.012 |
Antiviral | Yes |
Prediction | 0.829867 |