Chemoinformaics analysis of Uracil
Molecular Weight | 112.088 | nRot | 0 |
Heavy Atom Molecular Weight | 108.056 | nRig | 8 |
Exact Molecular Weight | 112.027 | nRing | 1 |
Solubility: LogS | -1.218 | nHRing | 1 |
Solubility: LogP | -1.268 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 12 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 4 | 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 | 2 | APOL | 13.1512 |
nHD | 2 | BPOL | 6.88883 |
QED | 0.455 |
Synth | 2.763 |
Natural Product Likeliness | 0.035 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.009 |
HIA | 0.981 |
CACO-2 | -5.55 |
MDCK | 0.0000136 |
BBB | 0.084 |
PPB | 0.0698108 |
VDSS | 0.548 |
FU | 0.881708 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.975 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.174 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.052 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.151 |
CL | 7.113 |
T12 | 0.917 |
hERG | 0.013 |
Ames | 0.071 |
ROA | 0.069 |
SkinSen | 0.517 |
Carcinogencity | 0.673 |
EI | 0.898 |
Respiratory | 0.054 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.857582 |