Chemoinformaics analysis of Norwogonin
Molecular Weight | 270.24 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 18 |
Exact Molecular Weight | 270.053 | nRing | 3 |
Solubility: LogS | -3.578 | nHRing | 1 |
Solubility: LogP | 3.395 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 35.7279 |
nHD | 3 | BPOL | 12.6361 |
QED | 0.467 |
Synth | 2.289 |
Natural Product Likeliness | 1.384 |
NR-PPAR-gamma | 0.968 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.015 |
HIA | 0.019 |
CACO-2 | -4.982 |
MDCK | 0.0000125 |
BBB | 0.014 |
PPB | 0.987424 |
VDSS | 0.485 |
FU | 0.0421885 |
CYP1A2-inh | 0.977 |
CYP1A2-sub | 0.155 |
CYP2c19-inh | 0.157 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.676 |
CYP2c9-sub | 0.653 |
CYP2d6-inh | 0.674 |
CYP2d6-sub | 0.206 |
CYP3a4-inh | 0.216 |
CYP3a4-sub | 0.103 |
CL | 5.171 |
T12 | 0.857 |
hERG | 0.031 |
Ames | 0.68 |
ROA | 0.207 |
SkinSen | 0.931 |
Carcinogencity | 0.338 |
EI | 0.911 |
Respiratory | 0.312 |
NR-Aromatase | 0.914 |
Antiviral | Yes |
Prediction | 0.768371 |