Chemoinformaics analysis of HYDROGINKGOLIC ACID
Molecular Weight | 348.527 | nRot | 15 |
Heavy Atom Molecular Weight | 312.239 | nRig | 7 |
Exact Molecular Weight | 348.266 | nRing | 1 |
Solubility: LogS | -3.179 | nHRing | 0 |
Solubility: LogP | 8.257 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 61 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 36 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 63.1505 |
nHD | 2 | BPOL | 36.9835 |
QED | 0.346 |
Synth | 2.069 |
Natural Product Likeliness | 0.51 |
NR-PPAR-gamma | 0.98 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.001 |
HIA | 0.005 |
CACO-2 | -5.102 |
MDCK | 0.000017 |
BBB | 0.025 |
PPB | 0.998247 |
VDSS | 0.655 |
FU | 0.00598939 |
CYP1A2-inh | 0.341 |
CYP1A2-sub | 0.179 |
CYP2c19-inh | 0.532 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.149 |
CYP2c9-sub | 0.846 |
CYP2d6-inh | 0.694 |
CYP2d6-sub | 0.067 |
CYP3a4-inh | 0.112 |
CYP3a4-sub | 0.016 |
CL | 1.835 |
T12 | 0.284 |
hERG | 0.373 |
Ames | 0.01 |
ROA | 0.027 |
SkinSen | 0.754 |
Carcinogencity | 0.041 |
EI | 0.981 |
Respiratory | 0.896 |
NR-Aromatase | 0.119 |
Antiviral | Yes |
Prediction | 0.626958 |