Chemoinformaics analysis of 1-Methyluracil
Molecular Weight | 126.115 | nRot | 0 |
Heavy Atom Molecular Weight | 120.067 | nRig | 5 |
Exact Molecular Weight | 126.043 | nRing | 1 |
Solubility: LogS | -4.403 | nHRing | 1 |
Solubility: LogP | 4.263 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 15 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 16.1548 |
nHD | 1 | BPOL | 10.0352 |
QED | 0.582 |
Synth | 1.743 |
Natural Product Likeliness | -1.809 |
NR-PPAR-gamma | 0.471 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.002 |
HIA | 0.003 |
CACO-2 | -4.146 |
MDCK | 0.0000361 |
BBB | 0.777 |
PPB | 0.969546 |
VDSS | 2.863 |
FU | 0.0325889 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.777 |
CYP2c19-inh | 0.894 |
CYP2c19-sub | 0.166 |
CYP2c9-inh | 0.567 |
CYP2c9-sub | 0.753 |
CYP2d6-inh | 0.926 |
CYP2d6-sub | 0.644 |
CYP3a4-inh | 0.138 |
CYP3a4-sub | 0.293 |
CL | 6.956 |
T12 | 0.221 |
hERG | 0.072 |
Ames | 0.012 |
ROA | 0.038 |
SkinSen | 0.745 |
Carcinogencity | 0.086 |
EI | 0.994 |
Respiratory | 0.18 |
NR-Aromatase | 0.013 |
Antiviral | No |
Prediction | 0.859715 |