Chemoinformaics analysis of Ginkgetin
Molecular Weight | 566.518 | nRot | 5 |
Heavy Atom Molecular Weight | 544.342 | nRig | 36 |
Exact Molecular Weight | 566.121 | nRing | 6 |
Solubility: LogS | -4.563 | nHRing | 2 |
Solubility: LogP | 6.375 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 6 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 64 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 42 | No. of Aromatic Carbocycles | 4 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 32 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 32 |
No. of Oxygen atom | 10 | No. of Arom Bond | 34 |
nHA | 10 | APOL | 76.1294 |
nHD | 4 | BPOL | 30.7506 |
QED | 0.203 |
Synth | 2.984 |
Natural Product Likeliness | 1.023 |
NR-PPAR-gamma | 0.982 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.347 |
Pgp-sub | 0.177 |
HIA | 0.298 |
CACO-2 | -5.088 |
MDCK | 0.0000139 |
BBB | 0 |
PPB | 0.936023 |
VDSS | 0.462 |
FU | 0.0651753 |
CYP1A2-inh | 0.785 |
CYP1A2-sub | 0.72 |
CYP2c19-inh | 0.794 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.6 |
CYP2c9-sub | 0.948 |
CYP2d6-inh | 0.1 |
CYP2d6-sub | 0.902 |
CYP3a4-inh | 0.227 |
CYP3a4-sub | 0.108 |
CL | 4.128 |
T12 | 0.218 |
hERG | 0.047 |
Ames | 0.329 |
ROA | 0.06 |
SkinSen | 0.563 |
Carcinogencity | 0.04 |
EI | 0.814 |
Respiratory | 0.075 |
NR-Aromatase | 0.949 |
Antiviral | Yes |
Prediction | 0.768548 |