Chemoinformaics analysis of UREA
Molecular Weight | 60.056 | nRot | 0 |
Heavy Atom Molecular Weight | 56.024 | nRig | 1 |
Exact Molecular Weight | 60.0324 | nRing | 0 |
Solubility: LogS | 0.74 | nHRing | 0 |
Solubility: LogP | -1.365 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 8 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 4 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 7.33917 |
nHD | 2 | BPOL | 3.74083 |
QED | 0.371 |
Synth | 1.932 |
Natural Product Likeliness | -0.217 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.973 |
HIA | 0.003 |
CACO-2 | -5.084 |
MDCK | 0.00106871 |
BBB | 0.974 |
PPB | 0.0445648 |
VDSS | 0.842 |
FU | 0.875624 |
CYP1A2-inh | 0.098 |
CYP1A2-sub | 0.289 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.068 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.126 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.255 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.112 |
CL | 5.847 |
T12 | 0.272 |
hERG | 0.017 |
Ames | 0.071 |
ROA | 0.02 |
SkinSen | 0.297 |
Carcinogencity | 0.117 |
EI | 0.583 |
Respiratory | 0.028 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.914 |