Chemoinformaics analysis of Artonin G
Molecular Weight | 502.563 | nRot | 4 |
Heavy Atom Molecular Weight | 472.323 | nRig | 27 |
Exact Molecular Weight | 502.199 | nRing | 5 |
Solubility: LogS | -2.389 | nHRing | 2 |
Solubility: LogP | 7.294 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 67 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 37 | No. of Aromatic Carbocycles | 3 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 30 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 18 |
No. of Oxygen atom | 7 | No. of Arom Bond | 21 |
nHA | 7 | APOL | 75.7178 |
nHD | 4 | BPOL | 34.4362 |
QED | 0.142 |
Synth | 3.776 |
Natural Product Likeliness | 1.683 |
NR-PPAR-gamma | 0.844 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.868 |
Pgp-sub | 0.577 |
HIA | 0.844 |
CACO-2 | -4.992 |
MDCK | 0.0000115 |
BBB | 0.002 |
PPB | 0.798886 |
VDSS | 0.781 |
FU | 0.228214 |
CYP1A2-inh | 0.164 |
CYP1A2-sub | 0.212 |
CYP2c19-inh | 0.493 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.698 |
CYP2c9-sub | 0.721 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.143 |
CYP3a4-inh | 0.047 |
CYP3a4-sub | 0.057 |
CL | 3.48 |
T12 | 0.103 |
hERG | 0.001 |
Ames | 0.292 |
ROA | 0.265 |
SkinSen | 0.877 |
Carcinogencity | 0.293 |
EI | 0.428 |
Respiratory | 0.102 |
NR-Aromatase | 0.886 |
Antiviral | Yes |
Prediction | 0.685558 |