Chemoinformaics analysis of 2-(4-HYDROXYPHENYL)-5,6,7,8-TETRAMETHOXYCHROMEN-4-ONE
Molecular Weight | 358.346 | nRot | 5 |
Heavy Atom Molecular Weight | 340.202 | nRig | 18 |
Exact Molecular Weight | 358.105 | nRing | 3 |
Solubility: LogS | -3.831 | nHRing | 1 |
Solubility: LogP | 2.885 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 49.3463 |
nHD | 1 | BPOL | 27.6057 |
QED | 0.749 |
Synth | 2.464 |
Natural Product Likeliness | 1.133 |
NR-PPAR-gamma | 0.41 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.995 |
Pgp-sub | 0 |
HIA | 0.014 |
CACO-2 | -4.556 |
MDCK | 0.0000252 |
BBB | 0.016 |
PPB | 0.83583 |
VDSS | 0.872 |
FU | 0.18172 |
CYP1A2-inh | 0.523 |
CYP1A2-sub | 0.977 |
CYP2c19-inh | 0.776 |
CYP2c19-sub | 0.691 |
CYP2c9-inh | 0.761 |
CYP2c9-sub | 0.9 |
CYP2d6-inh | 0.037 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.501 |
CYP3a4-sub | 0.614 |
CL | 4.43 |
T12 | 0.548 |
hERG | 0.281 |
Ames | 0.461 |
ROA | 0.393 |
SkinSen | 0.299 |
Carcinogencity | 0.13 |
EI | 0.343 |
Respiratory | 0.042 |
NR-Aromatase | 0.883 |
Antiviral | Yes |
Prediction | 0.880654 |