Chemoinformaics analysis of PRANGOSINE
Molecular Weight | 243.262 | nRot | 1 |
Heavy Atom Molecular Weight | 230.158 | nRig | 16 |
Exact Molecular Weight | 243.09 | nRing | 3 |
Solubility: LogS | -3.203 | nHRing | 2 |
Solubility: LogP | 2.024 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 3 | No. of Arom Bond | 15 |
nHA | 4 | APOL | 35.5543 |
nHD | 1 | BPOL | 16.8117 |
QED | 0.667 |
Synth | 2.773 |
Natural Product Likeliness | 0.647 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.027 |
Pgp-sub | 0.998 |
HIA | 0.007 |
CACO-2 | -5.13 |
MDCK | 0.000022 |
BBB | 0.015 |
PPB | 0.842626 |
VDSS | 1.001 |
FU | 0.246805 |
CYP1A2-inh | 0.977 |
CYP1A2-sub | 0.949 |
CYP2c19-inh | 0.098 |
CYP2c19-sub | 0.107 |
CYP2c9-inh | 0.018 |
CYP2c9-sub | 0.777 |
CYP2d6-inh | 0.74 |
CYP2d6-sub | 0.878 |
CYP3a4-inh | 0.177 |
CYP3a4-sub | 0.343 |
CL | 8.344 |
T12 | 0.504 |
hERG | 0.248 |
Ames | 0.053 |
ROA | 0.166 |
SkinSen | 0.261 |
Carcinogencity | 0.816 |
EI | 0.023 |
Respiratory | 0.519 |
NR-Aromatase | 0.604 |
Antiviral | Yes |
Prediction | 0.695864 |