Chemoinformaics analysis of GINKGOIC-ACID
Molecular Weight | 490.877 | nRot | 17 |
Heavy Atom Molecular Weight | 440.477 | nRig | 8 |
Exact Molecular Weight | 490.33 | nRing | 1 |
Solubility: LogS | -7.753 | nHRing | 0 |
Solubility: LogP | 9.297 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 83 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 28 | 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 | 3 | APOL | 93.5657 |
nHD | 0 | BPOL | 85.3803 |
QED | 0.124 |
Synth | 2.926 |
Natural Product Likeliness | 0.434 |
NR-PPAR-gamma | 0.03 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.971 |
Pgp-sub | 0.004 |
HIA | 0.006 |
CACO-2 | -4.924 |
MDCK | 0.000012 |
BBB | 0.001 |
PPB | 1.01238 |
VDSS | 7.392 |
FU | 0.00436379 |
CYP1A2-inh | 0.6 |
CYP1A2-sub | 0.483 |
CYP2c19-inh | 0.505 |
CYP2c19-sub | 0.349 |
CYP2c9-inh | 0.394 |
CYP2c9-sub | 0.962 |
CYP2d6-inh | 0.059 |
CYP2d6-sub | 0.185 |
CYP3a4-inh | 0.402 |
CYP3a4-sub | 0.052 |
CL | 3.145 |
T12 | 0.029 |
hERG | 0.103 |
Ames | 0.012 |
ROA | 0 |
SkinSen | 0.973 |
Carcinogencity | 0.036 |
EI | 0.99 |
Respiratory | 0.086 |
NR-Aromatase | 0.828 |
Antiviral | Yes |
Prediction | 0.773378 |