Chemoinformaics analysis of 2-HYDROXY-2-PHENYLACETAMIDE
Molecular Weight | 151.165 | nRot | 2 |
Heavy Atom Molecular Weight | 142.093 | nRig | 7 |
Exact Molecular Weight | 151.063 | nRing | 1 |
Solubility: LogS | -1.272 | nHRing | 0 |
Solubility: LogP | 0.155 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 22.0651 |
nHD | 2 | BPOL | 9.32686 |
QED | 0.634 |
Synth | 2.21 |
Natural Product Likeliness | 0.015 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.942 |
HIA | 0.039 |
CACO-2 | -5.081 |
MDCK | 0.000319988 |
BBB | 0.993 |
PPB | 0.257491 |
VDSS | 0.836 |
FU | 0.676421 |
CYP1A2-inh | 0.078 |
CYP1A2-sub | 0.103 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.274 |
CYP2c9-inh | 0.012 |
CYP2c9-sub | 0.217 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.284 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.221 |
CL | 2.897 |
T12 | 0.379 |
hERG | 0.028 |
Ames | 0.017 |
ROA | 0.013 |
SkinSen | 0.174 |
Carcinogencity | 0.015 |
EI | 0.478 |
Respiratory | 0.028 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.878355 |