Chemoinformaics analysis of 6-HYDROXY-7-METHOXY-4-PHENYLCHROMEN-2-ONE
Molecular Weight | 268.268 | nRot | 2 |
Heavy Atom Molecular Weight | 256.172 | nRig | 18 |
Exact Molecular Weight | 268.074 | nRing | 3 |
Solubility: LogS | -3.713 | nHRing | 1 |
Solubility: LogP | 2.924 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 4 | No. of Arom Bond | 17 |
nHA | 4 | APOL | 37.9295 |
nHD | 1 | BPOL | 16.3785 |
QED | 0.725 |
Synth | 1.949 |
Natural Product Likeliness | 0.538 |
NR-PPAR-gamma | 0.647 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.014 |
Pgp-sub | 0.981 |
HIA | 0.006 |
CACO-2 | -4.797 |
MDCK | 0.000021 |
BBB | 0.201 |
PPB | 0.965049 |
VDSS | 0.508 |
FU | 0.0260377 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.938 |
CYP2c19-inh | 0.856 |
CYP2c19-sub | 0.069 |
CYP2c9-inh | 0.572 |
CYP2c9-sub | 0.872 |
CYP2d6-inh | 0.705 |
CYP2d6-sub | 0.888 |
CYP3a4-inh | 0.599 |
CYP3a4-sub | 0.254 |
CL | 10.524 |
T12 | 0.654 |
hERG | 0.195 |
Ames | 0.121 |
ROA | 0.191 |
SkinSen | 0.718 |
Carcinogencity | 0.439 |
EI | 0.953 |
Respiratory | 0.284 |
NR-Aromatase | 0.474 |
Antiviral | Yes |
Prediction | 0.797114 |