Chemoinformaics analysis of GANODERIC-ACID-E
Molecular Weight | 512.643 | nRot | 6 |
Heavy Atom Molecular Weight | 472.323 | nRig | 26 |
Exact Molecular Weight | 512.277 | nRing | 4 |
Solubility: LogS | -4.592 | nHRing | 0 |
Solubility: LogP | 2.594 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 77 | 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 | 40 | 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 | 82.3857 |
nHD | 1 | BPOL | 45.3363 |
QED | 0.554 |
Synth | 5.019 |
Natural Product Likeliness | 2.863 |
NR-PPAR-gamma | 0.859 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.266 |
Pgp-sub | 0.001 |
HIA | 0.107 |
CACO-2 | -5.392 |
MDCK | 0.0000214 |
BBB | 0.937 |
PPB | 0.80076 |
VDSS | 0.371 |
FU | 0.0943649 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.757 |
CYP2c19-inh | 0.025 |
CYP2c19-sub | 0.907 |
CYP2c9-inh | 0.038 |
CYP2c9-sub | 0.882 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.112 |
CYP3a4-inh | 0.052 |
CYP3a4-sub | 0.486 |
CL | 12.787 |
T12 | 0.796 |
hERG | 0 |
Ames | 0.024 |
ROA | 0.196 |
SkinSen | 0.025 |
Carcinogencity | 0.041 |
EI | 0.042 |
Respiratory | 0.878 |
NR-Aromatase | 0.505 |
Antiviral | Yes |
Prediction | 0.776758 |