Chemoinformaics analysis of 2,4,8,9-TETRAHYDROXY-[1]BENZOFURO[3,2-C]CHROMEN-6-ONE
Molecular Weight | 300.222 | nRot | 0 |
Heavy Atom Molecular Weight | 292.158 | nRig | 1 |
Exact Molecular Weight | 300.027 | nRing | 4 |
Solubility: LogS | -1.073 | nHRing | 2 |
Solubility: LogP | 1.218 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 17 |
No. of Oxygen atom | 7 | No. of Arom Bond | 20 |
nHA | 7 | APOL | 35.9983 |
nHD | 4 | BPOL | 12.3657 |
QED | 0.485 |
Synth | 1.639 |
Natural Product Likeliness | 0.383 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.005 |
Pgp-sub | 0.028 |
HIA | 0.003 |
CACO-2 | -4.218 |
MDCK | 0.0000347 |
BBB | 0.997 |
PPB | 0.228477 |
VDSS | 0.809 |
FU | 0.776938 |
CYP1A2-inh | 0.792 |
CYP1A2-sub | 0.653 |
CYP2c19-inh | 0.205 |
CYP2c19-sub | 0.859 |
CYP2c9-inh | 0.027 |
CYP2c9-sub | 0.671 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.433 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.254 |
CL | 9.839 |
T12 | 0.888 |
hERG | 0.018 |
Ames | 0.015 |
ROA | 0.046 |
SkinSen | 0.444 |
Carcinogencity | 0.121 |
EI | 0.985 |
Respiratory | 0.096 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.604205 |