Chemoinformaics analysis of GANODERIC-ACID-W
Molecular Weight | 572.783 | nRot | 7 |
Heavy Atom Molecular Weight | 520.367 | nRig | 24 |
Exact Molecular Weight | 572.371 | nRing | 4 |
Solubility: LogS | -4.487 | nHRing | 0 |
Solubility: LogP | 4.441 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 93 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 41 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 34 | 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 | 97.0672 |
nHD | 2 | BPOL | 58.2428 |
QED | 0.265 |
Synth | 5.369 |
Natural Product Likeliness | 3.08 |
NR-PPAR-gamma | 0.969 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.035 |
Pgp-sub | 0.034 |
HIA | 0.1 |
CACO-2 | -5.073 |
MDCK | 0.0000132 |
BBB | 0.789 |
PPB | 0.990726 |
VDSS | 0.84 |
FU | 0.0332057 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.088 |
CYP2c19-inh | 0.004 |
CYP2c19-sub | 0.873 |
CYP2c9-inh | 0.049 |
CYP2c9-sub | 0.918 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.156 |
CYP3a4-inh | 0.115 |
CYP3a4-sub | 0.332 |
CL | 1.828 |
T12 | 0.031 |
hERG | 0.002 |
Ames | 0.006 |
ROA | 0.036 |
SkinSen | 0.026 |
Carcinogencity | 0.034 |
EI | 0.018 |
Respiratory | 0.209 |
NR-Aromatase | 0.819 |
Antiviral | Yes |
Prediction | 0.602092 |