Chemoinformaics analysis of (2R)-9-HYDROXY-2-(2-HYDROXYPROPAN-2-YL)-2,3-DIHYDROFURO[3,2-G]CHROMEN-7-ONE
Molecular Weight | 262.261 | nRot | 1 |
Heavy Atom Molecular Weight | 248.149 | nRig | 19 |
Exact Molecular Weight | 262.084 | nRing | 3 |
Solubility: LogS | -2.054 | nHRing | 2 |
Solubility: LogP | 1.112 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 5 | No. of Arom Bond | 11 |
nHA | 5 | APOL | 36.7251 |
nHD | 2 | BPOL | 18.3849 |
QED | 0.405 |
Synth | 3.69 |
Natural Product Likeliness | 1.746 |
NR-PPAR-gamma | 0.014 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.348 |
HIA | 0.646 |
CACO-2 | -5.839 |
MDCK | 0.0000144 |
BBB | 0.562 |
PPB | 0.970424 |
VDSS | 1.036 |
FU | 0.0310826 |
CYP1A2-inh | 0.105 |
CYP1A2-sub | 0.038 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.069 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.795 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.781 |
CYP3a4-inh | 0.08 |
CYP3a4-sub | 0.042 |
CL | 7.543 |
T12 | 0.65 |
hERG | 0.179 |
Ames | 0.262 |
ROA | 0.114 |
SkinSen | 0.743 |
Carcinogencity | 0.385 |
EI | 0.012 |
Respiratory | 0.07 |
NR-Aromatase | 0.388 |
Antiviral | Yes |
Prediction | 0.750047 |