Chemoinformaics analysis of Lisetin
Molecular Weight | 382.368 | nRot | 3 |
Heavy Atom Molecular Weight | 364.224 | nRig | 22 |
Exact Molecular Weight | 382.105 | nRing | 4 |
Solubility: LogS | -3.535 | nHRing | 2 |
Solubility: LogP | 4.581 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 17 |
No. of Oxygen atom | 7 | No. of Arom Bond | 20 |
nHA | 7 | APOL | 52.6863 |
nHD | 3 | BPOL | 24.1337 |
QED | 0.452 |
Synth | 3.209 |
Natural Product Likeliness | 2.183 |
NR-PPAR-gamma | 0.846 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.038 |
Pgp-sub | 0.663 |
HIA | 0.237 |
CACO-2 | -4.995 |
MDCK | 0.0000132 |
BBB | 0.005 |
PPB | 0.789771 |
VDSS | 0.931 |
FU | 0.205953 |
CYP1A2-inh | 0.874 |
CYP1A2-sub | 0.672 |
CYP2c19-inh | 0.52 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.743 |
CYP2c9-sub | 0.604 |
CYP2d6-inh | 0.218 |
CYP2d6-sub | 0.221 |
CYP3a4-inh | 0.216 |
CYP3a4-sub | 0.056 |
CL | 8.524 |
T12 | 0.696 |
hERG | 0.002 |
Ames | 0.056 |
ROA | 0.867 |
SkinSen | 0.823 |
Carcinogencity | 0.499 |
EI | 0.595 |
Respiratory | 0.665 |
NR-Aromatase | 0.848 |
Antiviral | Yes |
Prediction | 0.649327 |