Chemoinformaics analysis of GINKGOTOXIN
Molecular Weight | 183.207 | nRot | 3 |
Heavy Atom Molecular Weight | 170.103 | nRig | 6 |
Exact Molecular Weight | 183.09 | nRing | 1 |
Solubility: LogS | -0.576 | nHRing | 1 |
Solubility: LogP | 0.119 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 27.2043 |
nHD | 2 | BPOL | 15.9177 |
QED | 0.725 |
Synth | 2.529 |
Natural Product Likeliness | 0.458 |
NR-PPAR-gamma | 0.153 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.019 |
HIA | 0.006 |
CACO-2 | -4.576 |
MDCK | 0.00000736 |
BBB | 0.1 |
PPB | 0.147734 |
VDSS | 1.351 |
FU | 0.731358 |
CYP1A2-inh | 0.049 |
CYP1A2-sub | 0.392 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.511 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.148 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.521 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.283 |
CL | 7.471 |
T12 | 0.889 |
hERG | 0.023 |
Ames | 0.349 |
ROA | 0.052 |
SkinSen | 0.878 |
Carcinogencity | 0.496 |
EI | 0.056 |
Respiratory | 0.068 |
NR-Aromatase | 0.536 |
Antiviral | No |
Prediction | 0.859806 |