Chemoinformaics analysis of 7-Hydroxy-5-methoxy-2-phenylchroman-4-one
Molecular Weight | 270.284 | nRot | 2 |
Heavy Atom Molecular Weight | 256.172 | nRig | 18 |
Exact Molecular Weight | 270.089 | nRing | 3 |
Solubility: LogS | -3.698 | nHRing | 1 |
Solubility: LogP | 2.499 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | 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 | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 39.2631 |
nHD | 1 | BPOL | 18.3849 |
QED | 0.911 |
Synth | 2.654 |
Natural Product Likeliness | 1.595 |
NR-PPAR-gamma | 0.829 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0 |
HIA | 0.01 |
CACO-2 | -4.644 |
MDCK | 0.000017 |
BBB | 0.428 |
PPB | 0.895814 |
VDSS | 0.571 |
FU | 0.0587688 |
CYP1A2-inh | 0.912 |
CYP1A2-sub | 0.728 |
CYP2c19-inh | 0.939 |
CYP2c19-sub | 0.53 |
CYP2c9-inh | 0.849 |
CYP2c9-sub | 0.922 |
CYP2d6-inh | 0.87 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.686 |
CYP3a4-sub | 0.253 |
CL | 12.171 |
T12 | 0.456 |
hERG | 0.043 |
Ames | 0.279 |
ROA | 0.477 |
SkinSen | 0.37 |
Carcinogencity | 0.54 |
EI | 0.891 |
Respiratory | 0.841 |
NR-Aromatase | 0.058 |
Antiviral | Yes |
Prediction | 0.704543 |