Chemoinformaics analysis of 5-aminouracil
Molecular Weight | 127.103 | nRot | 0 |
Heavy Atom Molecular Weight | 122.063 | nRig | 8 |
Exact Molecular Weight | 127.038 | nRing | 1 |
Solubility: LogS | -2.24 | nHRing | 1 |
Solubility: LogP | -1.512 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 4 | 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 | 3 | APOL | 14.918 |
nHD | 3 | BPOL | 7.32203 |
QED | 0.402 |
Synth | 2.825 |
Natural Product Likeliness | -0.33 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.78 |
HIA | 0.966 |
CACO-2 | -5.478 |
MDCK | 0.000180685 |
BBB | 0.039 |
PPB | 0.0911974 |
VDSS | 0.514 |
FU | 0.846124 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.965 |
CYP2c19-inh | 0.047 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.015 |
CYP2c9-sub | 0.106 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.058 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.136 |
CL | 6.466 |
T12 | 0.917 |
hERG | 0.012 |
Ames | 0.062 |
ROA | 0.175 |
SkinSen | 0.344 |
Carcinogencity | 0.118 |
EI | 0.875 |
Respiratory | 0.055 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.857582 |