Chemoinformaics analysis of GANODERIC-ACID-I
Molecular Weight | 532.674 | nRot | 6 |
Heavy Atom Molecular Weight | 488.322 | nRig | 25 |
Exact Molecular Weight | 532.304 | nRing | 4 |
Solubility: LogS | -3.187 | nHRing | 0 |
Solubility: LogP | 2.258 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 82 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 38 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 44 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 30 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 85.8549 |
nHD | 4 | BPOL | 47.6131 |
QED | 0.472 |
Synth | 5.26 |
Natural Product Likeliness | 2.499 |
NR-PPAR-gamma | 0.815 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.321 |
Pgp-sub | 0.061 |
HIA | 0.132 |
CACO-2 | -5.466 |
MDCK | 0.0000232 |
BBB | 0.367 |
PPB | 0.509034 |
VDSS | 0.348 |
FU | 0.418217 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.218 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.865 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.363 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.128 |
CYP3a4-inh | 0.027 |
CYP3a4-sub | 0.102 |
CL | 14.023 |
T12 | 0.491 |
hERG | 0.001 |
Ames | 0.013 |
ROA | 0.97 |
SkinSen | 0.013 |
Carcinogencity | 0.017 |
EI | 0.013 |
Respiratory | 0.675 |
NR-Aromatase | 0.121 |
Antiviral | Yes |
Prediction | 0.817923 |