Chemoinformaics analysis of 7-HYDROXY-FLAVANONE
Molecular Weight | 240.258 | nRot | 1 |
Heavy Atom Molecular Weight | 228.162 | nRig | 18 |
Exact Molecular Weight | 240.079 | nRing | 3 |
Solubility: LogS | -3.786 | nHRing | 1 |
Solubility: LogP | 2.853 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 35.4575 |
nHD | 1 | BPOL | 14.6425 |
QED | 0.833 |
Synth | 2.499 |
Natural Product Likeliness | 1.293 |
NR-PPAR-gamma | 0.614 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.014 |
Pgp-sub | 0 |
HIA | 0.014 |
CACO-2 | -4.628 |
MDCK | 0.0000143 |
BBB | 0.267 |
PPB | 0.93689 |
VDSS | 0.459 |
FU | 0.0385715 |
CYP1A2-inh | 0.909 |
CYP1A2-sub | 0.395 |
CYP2c19-inh | 0.953 |
CYP2c19-sub | 0.193 |
CYP2c9-inh | 0.847 |
CYP2c9-sub | 0.928 |
CYP2d6-inh | 0.764 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.402 |
CYP3a4-sub | 0.212 |
CL | 14.501 |
T12 | 0.581 |
hERG | 0.034 |
Ames | 0.7 |
ROA | 0.455 |
SkinSen | 0.336 |
Carcinogencity | 0.677 |
EI | 0.945 |
Respiratory | 0.265 |
NR-Aromatase | 0.085 |
Antiviral | No |
Prediction | 0.769106 |