Chemoinformaics analysis of ganoderic-acid-y
Molecular Weight | 170.252 | nRot | 4 |
Heavy Atom Molecular Weight | 152.108 | nRig | 24 |
Exact Molecular Weight | 170.131 | nRing | 0 |
Solubility: LogS | -3.847 | nHRing | 0 |
Solubility: LogP | -0.078 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 30.3063 |
nHD | 2 | BPOL | 18.0577 |
QED | 0.244 |
Synth | 4.145 |
Natural Product Likeliness | 1.931 |
NR-PPAR-gamma | 0.897 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.014 |
Pgp-sub | 0.973 |
HIA | 0.741 |
CACO-2 | -6.283 |
MDCK | 0.0000302 |
BBB | 0.137 |
PPB | 0.732642 |
VDSS | 0.851 |
FU | 0.319427 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.782 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.124 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.301 |
CYP2d6-inh | 0.027 |
CYP2d6-sub | 0.211 |
CYP3a4-inh | 0.068 |
CYP3a4-sub | 0.026 |
CL | 4.531 |
T12 | 0.668 |
hERG | 0.148 |
Ames | 0.34 |
ROA | 0.14 |
SkinSen | 0.105 |
Carcinogencity | 0.034 |
EI | 0.009 |
Respiratory | 0.019 |
NR-Aromatase | 0.744 |
Antiviral | No |
Prediction | 0.939017 |