Chemoinformaics analysis of 4-(4-Fluorophenyl)-1H-pyrazol-5-amine
Molecular Weight | 177.182 | nRot | 1 |
Heavy Atom Molecular Weight | 169.118 | nRig | 0 |
Exact Molecular Weight | 177.07 | nRing | 2 |
Solubility: LogS | -1.592 | nHRing | 1 |
Solubility: LogP | 1.924 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 11 |
No. of Oxygen atom | 0 | No. of Arom Bond | 11 |
nHA | 2 | APOL | 24.2213 |
nHD | 2 | BPOL | 9.13866 |
QED | 0.526 |
Synth | 1.73 |
Natural Product Likeliness | 0.078 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.013 |
HIA | 0.002 |
CACO-2 | -4.056 |
MDCK | 0.0000336 |
BBB | 0.904 |
PPB | 0.347802 |
VDSS | 1.24 |
FU | 0.536154 |
CYP1A2-inh | 0.45 |
CYP1A2-sub | 0.458 |
CYP2c19-inh | 0.072 |
CYP2c19-sub | 0.891 |
CYP2c9-inh | 0.071 |
CYP2c9-sub | 0.182 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.196 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.253 |
CL | 8.681 |
T12 | 0.581 |
hERG | 0.019 |
Ames | 0.011 |
ROA | 0.033 |
SkinSen | 0.29 |
Carcinogencity | 0.442 |
EI | 0.988 |
Respiratory | 0.039 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.823695 |