Chemoinformaics analysis of 4-Hydroxylamino-6-methylpyrimidin-2(1H)-one
Molecular Weight | 141.13 | nRot | 1 |
Heavy Atom Molecular Weight | 134.074 | nRig | 8 |
Exact Molecular Weight | 141.054 | nRing | 1 |
Solubility: LogS | -1.365 | nHRing | 1 |
Solubility: LogP | -0.466 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 17.9216 |
nHD | 3 | BPOL | 9.03045 |
QED | 0.33 |
Synth | 3.729 |
Natural Product Likeliness | -0.54 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.009 |
HIA | 0.991 |
CACO-2 | -5.465 |
MDCK | 0.00004 |
BBB | 0.136 |
PPB | 0.386531 |
VDSS | 0.626 |
FU | 0.715405 |
CYP1A2-inh | 0.035 |
CYP1A2-sub | 0.897 |
CYP2c19-inh | 0.101 |
CYP2c19-sub | 0.048 |
CYP2c9-inh | 0.026 |
CYP2c9-sub | 0.084 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.054 |
CYP3a4-inh | 0.028 |
CYP3a4-sub | 0.189 |
CL | 6.033 |
T12 | 0.886 |
hERG | 0.012 |
Ames | 0.06 |
ROA | 0.235 |
SkinSen | 0.208 |
Carcinogencity | 0.85 |
EI | 0.866 |
Respiratory | 0.159 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.857582 |