Chemoinformaics analysis of Urolithin-A
Molecular Weight | 228.203 | nRot | 0 |
Heavy Atom Molecular Weight | 220.139 | nRig | 17 |
Exact Molecular Weight | 228.042 | nRing | 3 |
Solubility: LogS | -3.425 | nHRing | 1 |
Solubility: LogP | 2.372 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 16 |
nHA | 4 | APOL | 30.2523 |
nHD | 2 | BPOL | 10.6297 |
QED | 0.457 |
Synth | 2.123 |
Natural Product Likeliness | 0.667 |
NR-PPAR-gamma | 0.169 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.984 |
HIA | 0.059 |
CACO-2 | -4.757 |
MDCK | 0.0000123 |
BBB | 0.029 |
PPB | 0.925683 |
VDSS | 0.564 |
FU | 0.0801444 |
CYP1A2-inh | 0.987 |
CYP1A2-sub | 0.166 |
CYP2c19-inh | 0.339 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.293 |
CYP2c9-sub | 0.958 |
CYP2d6-inh | 0.756 |
CYP2d6-sub | 0.885 |
CYP3a4-inh | 0.841 |
CYP3a4-sub | 0.11 |
CL | 9.48 |
T12 | 0.789 |
hERG | 0.048 |
Ames | 0.087 |
ROA | 0.192 |
SkinSen | 0.93 |
Carcinogencity | 0.607 |
EI | 0.982 |
Respiratory | 0.261 |
NR-Aromatase | 0.51 |
Antiviral | Yes |
Prediction | 0.644507 |