Chemoinformaics analysis of 8-(2-HYDROXYPROPAN-2-YL)FURO[2,3-H]CHROMEN-2-ONE
Molecular Weight | 244.246 | nRot | 1 |
Heavy Atom Molecular Weight | 232.15 | nRig | 16 |
Exact Molecular Weight | 244.074 | nRing | 3 |
Solubility: LogS | -3.119 | nHRing | 2 |
Solubility: LogP | 2.106 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | 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 | 13 |
No. of Oxygen atom | 4 | No. of Arom Bond | 15 |
nHA | 4 | APOL | 34.5895 |
nHD | 1 | BPOL | 16.3785 |
QED | 0.668 |
Synth | 2.752 |
Natural Product Likeliness | 1.443 |
NR-PPAR-gamma | 0.042 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.087 |
Pgp-sub | 0.773 |
HIA | 0.008 |
CACO-2 | -4.814 |
MDCK | 0.0000209 |
BBB | 0.019 |
PPB | 0.817103 |
VDSS | 0.961 |
FU | 0.163959 |
CYP1A2-inh | 0.979 |
CYP1A2-sub | 0.929 |
CYP2c19-inh | 0.321 |
CYP2c19-sub | 0.102 |
CYP2c9-inh | 0.071 |
CYP2c9-sub | 0.813 |
CYP2d6-inh | 0.771 |
CYP2d6-sub | 0.779 |
CYP3a4-inh | 0.204 |
CYP3a4-sub | 0.323 |
CL | 7.717 |
T12 | 0.55 |
hERG | 0.006 |
Ames | 0.126 |
ROA | 0.356 |
SkinSen | 0.096 |
Carcinogencity | 0.904 |
EI | 0.109 |
Respiratory | 0.121 |
NR-Aromatase | 0.74 |
Antiviral | Yes |
Prediction | 0.660913 |