Chemoinformaics analysis of Nevadensin
Molecular Weight | 344.319 | nRot | 4 |
Heavy Atom Molecular Weight | 328.191 | nRig | 18 |
Exact Molecular Weight | 344.09 | nRing | 3 |
Solubility: LogS | -4.185 | nHRing | 1 |
Solubility: LogP | 3.307 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | 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 | 46.3427 |
nHD | 2 | BPOL | 23.8633 |
QED | 0.751 |
Synth | 2.426 |
Natural Product Likeliness | 1.162 |
NR-PPAR-gamma | 0.937 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.998 |
Pgp-sub | 0 |
HIA | 0.023 |
CACO-2 | -4.76 |
MDCK | 0.0000195 |
BBB | 0.005 |
PPB | 0.857051 |
VDSS | 0.824 |
FU | 0.18362 |
CYP1A2-inh | 0.86 |
CYP1A2-sub | 0.966 |
CYP2c19-inh | 0.577 |
CYP2c19-sub | 0.256 |
CYP2c9-inh | 0.853 |
CYP2c9-sub | 0.862 |
CYP2d6-inh | 0.227 |
CYP2d6-sub | 0.816 |
CYP3a4-inh | 0.352 |
CYP3a4-sub | 0.302 |
CL | 2.062 |
T12 | 0.579 |
hERG | 0.12 |
Ames | 0.548 |
ROA | 0.307 |
SkinSen | 0.616 |
Carcinogencity | 0.203 |
EI | 0.235 |
Respiratory | 0.188 |
NR-Aromatase | 0.887 |
Antiviral | Yes |
Prediction | 0.775732 |