Chemoinformaics analysis of Gnetol
Molecular Weight | 244.246 | nRot | 2 |
Heavy Atom Molecular Weight | 232.15 | nRig | 13 |
Exact Molecular Weight | 244.074 | nRing | 2 |
Solubility: LogS | -3.122 | nHRing | 0 |
Solubility: LogP | 2.868 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 34.5895 |
nHD | 4 | BPOL | 12.0385 |
QED | 0.612 |
Synth | 2.463 |
Natural Product Likeliness | 0.842 |
NR-PPAR-gamma | 0.976 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.071 |
Pgp-sub | 0.001 |
HIA | 0.038 |
CACO-2 | -4.943 |
MDCK | 0.0000104 |
BBB | 0.016 |
PPB | 0.976125 |
VDSS | 0.691 |
FU | 0.0193291 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.106 |
CYP2c19-inh | 0.153 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.493 |
CYP2c9-sub | 0.95 |
CYP2d6-inh | 0.671 |
CYP2d6-sub | 0.692 |
CYP3a4-inh | 0.91 |
CYP3a4-sub | 0.096 |
CL | 13.844 |
T12 | 0.905 |
hERG | 0.045 |
Ames | 0.637 |
ROA | 0.538 |
SkinSen | 0.957 |
Carcinogencity | 0.213 |
EI | 0.976 |
Respiratory | 0.284 |
NR-Aromatase | 0.855 |
Antiviral | No |
Prediction | 0.781998 |