Chemoinformaics analysis of GANODERENIC-ACID-A
Molecular Weight | 516.675 | nRot | 5 |
Heavy Atom Molecular Weight | 472.323 | nRig | 25 |
Exact Molecular Weight | 516.309 | nRing | 4 |
Solubility: LogS | -4.471 | nHRing | 0 |
Solubility: LogP | 2.535 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 81 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 37 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | 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 | 7 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 85.0529 |
nHD | 4 | BPOL | 46.7451 |
QED | 0.471 |
Synth | 5.302 |
Natural Product Likeliness | 2.613 |
NR-PPAR-gamma | 0.91 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.223 |
Pgp-sub | 0.48 |
HIA | 0.181 |
CACO-2 | -5.359 |
MDCK | 0.0000251 |
BBB | 0.937 |
PPB | 0.621916 |
VDSS | 0.332 |
FU | 0.223096 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.129 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.844 |
CYP2c9-inh | 0.046 |
CYP2c9-sub | 0.663 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.186 |
CYP3a4-inh | 0.017 |
CYP3a4-sub | 0.133 |
CL | 18.185 |
T12 | 0.274 |
hERG | 0.004 |
Ames | 0.007 |
ROA | 0.69 |
SkinSen | 0.045 |
Carcinogencity | 0.09 |
EI | 0.01 |
Respiratory | 0.79 |
NR-Aromatase | 0.064 |
Antiviral | Yes |
Prediction | 0.787746 |