Chemoinformaics analysis of Pterosin N
Molecular Weight | 234.295 | nRot | 2 |
Heavy Atom Molecular Weight | 216.151 | nRig | 11 |
Exact Molecular Weight | 234.126 | nRing | 2 |
Solubility: LogS | -2.727 | nHRing | 0 |
Solubility: LogP | 1.633 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | 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 | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 37.7883 |
nHD | 2 | BPOL | 18.9257 |
QED | 0.811 |
Synth | 3.405 |
Natural Product Likeliness | 2.024 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.017 |
HIA | 0.01 |
CACO-2 | -4.579 |
MDCK | 0.0000123 |
BBB | 0.858 |
PPB | 0.589341 |
VDSS | 0.833 |
FU | 0.380833 |
CYP1A2-inh | 0.553 |
CYP1A2-sub | 0.622 |
CYP2c19-inh | 0.048 |
CYP2c19-sub | 0.825 |
CYP2c9-inh | 0.015 |
CYP2c9-sub | 0.376 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.264 |
CYP3a4-inh | 0.106 |
CYP3a4-sub | 0.52 |
CL | 5.514 |
T12 | 0.496 |
hERG | 0.011 |
Ames | 0.079 |
ROA | 0.103 |
SkinSen | 0.169 |
Carcinogencity | 0.032 |
EI | 0.362 |
Respiratory | 0.038 |
NR-Aromatase | 0.864 |
Antiviral | Yes |
Prediction | 0.617244 |