Chemoinformaics analysis of Vogeletin
Molecular Weight | 316.265 | nRot | 2 |
Heavy Atom Molecular Weight | 304.169 | nRig | 18 |
Exact Molecular Weight | 316.058 | nRing | 3 |
Solubility: LogS | -3.68 | nHRing | 1 |
Solubility: LogP | 2.476 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 40.3355 |
nHD | 4 | BPOL | 16.3785 |
QED | 0.535 |
Synth | 2.544 |
Natural Product Likeliness | 1.608 |
NR-PPAR-gamma | 0.971 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.259 |
Pgp-sub | 0.003 |
HIA | 0.017 |
CACO-2 | -5.066 |
MDCK | 0.0000104 |
BBB | 0.005 |
PPB | 0.967202 |
VDSS | 0.557 |
FU | 0.0969862 |
CYP1A2-inh | 0.916 |
CYP1A2-sub | 0.376 |
CYP2c19-inh | 0.098 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.676 |
CYP2c9-sub | 0.684 |
CYP2d6-inh | 0.542 |
CYP2d6-sub | 0.2 |
CYP3a4-inh | 0.356 |
CYP3a4-sub | 0.084 |
CL | 5.439 |
T12 | 0.918 |
hERG | 0.121 |
Ames | 0.642 |
ROA | 0.162 |
SkinSen | 0.875 |
Carcinogencity | 0.081 |
EI | 0.916 |
Respiratory | 0.067 |
NR-Aromatase | 0.942 |
Antiviral | Yes |
Prediction | 0.777464 |