Chemoinformaics analysis of 3,5,7-TRIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-6,8-DIMETHOXYCHROMEN-4-ONE
Molecular Weight | 376.317 | nRot | 4 |
Heavy Atom Molecular Weight | 360.189 | nRig | 18 |
Exact Molecular Weight | 376.079 | nRing | 3 |
Solubility: LogS | -3.665 | nHRing | 1 |
Solubility: LogP | 2.205 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 9 | No. of Arom Bond | 17 |
nHA | 9 | APOL | 47.9467 |
nHD | 4 | BPOL | 23.8633 |
QED | 0.54 |
Synth | 2.713 |
Natural Product Likeliness | 1.553 |
NR-PPAR-gamma | 0.894 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.999 |
Pgp-sub | 0.001 |
HIA | 0.109 |
CACO-2 | -5.183 |
MDCK | 0.0000156 |
BBB | 0.002 |
PPB | 0.884889 |
VDSS | 0.782 |
FU | 0.225803 |
CYP1A2-inh | 0.612 |
CYP1A2-sub | 0.96 |
CYP2c19-inh | 0.038 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.683 |
CYP2c9-sub | 0.605 |
CYP2d6-inh | 0.046 |
CYP2d6-sub | 0.205 |
CYP3a4-inh | 0.212 |
CYP3a4-sub | 0.13 |
CL | 2.529 |
T12 | 0.887 |
hERG | 0.164 |
Ames | 0.508 |
ROA | 0.134 |
SkinSen | 0.667 |
Carcinogencity | 0.049 |
EI | 0.851 |
Respiratory | 0.066 |
NR-Aromatase | 0.904 |
Antiviral | Yes |
Prediction | 0.930658 |