Chemoinformaics analysis of GANODERIC-ACID-G
Molecular Weight | 215.208 | nRot | 3 |
Heavy Atom Molecular Weight | 206.136 | nRig | 13 |
Exact Molecular Weight | 215.058 | nRing | 2 |
Solubility: LogS | -4.228 | nHRing | 0 |
Solubility: LogP | 3.075 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 29.5471 |
nHD | 0 | BPOL | 11.9309 |
QED | 0.582 |
Synth | 1.514 |
Natural Product Likeliness | -1.197 |
NR-PPAR-gamma | 0.011 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -4.501 |
MDCK | 0.000143719 |
BBB | 0.424 |
PPB | 0.98618 |
VDSS | 0.609 |
FU | 0.0165713 |
CYP1A2-inh | 0.981 |
CYP1A2-sub | 0.237 |
CYP2c19-inh | 0.959 |
CYP2c19-sub | 0.249 |
CYP2c9-inh | 0.823 |
CYP2c9-sub | 0.936 |
CYP2d6-inh | 0.096 |
CYP2d6-sub | 0.699 |
CYP3a4-inh | 0.137 |
CYP3a4-sub | 0.312 |
CL | 6.71 |
T12 | 0.687 |
hERG | 0.238 |
Ames | 0.881 |
ROA | 0.047 |
SkinSen | 0.935 |
Carcinogencity | 0.736 |
EI | 0.983 |
Respiratory | 0.951 |
NR-Aromatase | 0.318 |
Antiviral | No |
Prediction | 0.714445 |