Chemoinformaics analysis of Ganoderic acid G
Molecular Weight | 532.674 | nRot | 6 |
Heavy Atom Molecular Weight | 488.322 | nRig | 25 |
Exact Molecular Weight | 532.304 | nRing | 4 |
Solubility: LogS | -3.263 | nHRing | 0 |
Solubility: LogP | 2.072 | 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 | 0.473 |
Synth | 5.348 |
Natural Product Likeliness | 2.69 |
NR-PPAR-gamma | 0.45 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.067 |
Pgp-sub | 0.236 |
HIA | 0.071 |
CACO-2 | -5.359 |
MDCK | 0.0000378 |
BBB | 0.767 |
PPB | 0.503186 |
VDSS | 0.372 |
FU | 0.418245 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.123 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.812 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.808 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.167 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.101 |
CL | 8.568 |
T12 | 0.359 |
hERG | 0.002 |
Ames | 0.007 |
ROA | 0.982 |
SkinSen | 0.023 |
Carcinogencity | 0.016 |
EI | 0.019 |
Respiratory | 0.893 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.770787 |