Chemoinformaics analysis of 2-(4-HYDROXYPHENYL)-5,7-DIMETHOXY-2,3-DIHYDROCHROMEN-4-ONE
Molecular Weight | 300.31 | nRot | 3 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 300.1 | nRing | 3 |
Solubility: LogS | -4.179 | nHRing | 1 |
Solubility: LogP | 2.527 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 43.0687 |
nHD | 1 | BPOL | 22.1273 |
QED | 0.943 |
Synth | 2.685 |
Natural Product Likeliness | 1.334 |
NR-PPAR-gamma | 0.793 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.051 |
Pgp-sub | 0.001 |
HIA | 0.007 |
CACO-2 | -4.635 |
MDCK | 0.0000277 |
BBB | 0.108 |
PPB | 0.922706 |
VDSS | 0.667 |
FU | 0.0607448 |
CYP1A2-inh | 0.783 |
CYP1A2-sub | 0.908 |
CYP2c19-inh | 0.951 |
CYP2c19-sub | 0.711 |
CYP2c9-inh | 0.881 |
CYP2c9-sub | 0.946 |
CYP2d6-inh | 0.657 |
CYP2d6-sub | 0.904 |
CYP3a4-inh | 0.809 |
CYP3a4-sub | 0.402 |
CL | 11.991 |
T12 | 0.351 |
hERG | 0.056 |
Ames | 0.37 |
ROA | 0.43 |
SkinSen | 0.382 |
Carcinogencity | 0.605 |
EI | 0.805 |
Respiratory | 0.873 |
NR-Aromatase | 0.095 |
Antiviral | Yes |
Prediction | 0.838624 |