Chemoinformaics analysis of URIC-ACID
Molecular Weight | 168.112 | nRot | 0 |
Heavy Atom Molecular Weight | 164.08 | nRig | 13 |
Exact Molecular Weight | 168.028 | nRing | 2 |
Solubility: LogS | -3.639 | nHRing | 2 |
Solubility: LogP | -1.336 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 9 |
No. of Oxygen atom | 3 | No. of Arom Bond | 10 |
nHA | 3 | APOL | 17.8232 |
nHD | 4 | BPOL | 8.89683 |
QED | 0.373 |
Synth | 3.085 |
Natural Product Likeliness | -0.279 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.251 |
HIA | 1 |
CACO-2 | -5.893 |
MDCK | 0.0000484 |
BBB | 0.117 |
PPB | 0.143405 |
VDSS | 0.516 |
FU | 0.670046 |
CYP1A2-inh | 0.036 |
CYP1A2-sub | 0.992 |
CYP2c19-inh | 0.074 |
CYP2c19-sub | 0.039 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.01 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.002 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.425 |
CL | 7.628 |
T12 | 0.971 |
hERG | 0.022 |
Ames | 0.033 |
ROA | 0.981 |
SkinSen | 0.174 |
Carcinogencity | 0.383 |
EI | 0.843 |
Respiratory | 0.979 |
NR-Aromatase | 0.002 |
Antiviral | Yes |
Prediction | 0.755747 |