Chemoinformaics analysis of 3?-methoxy furo[8,7,4?,5?] flavone
Molecular Weight | 308.289 | nRot | 2 |
Heavy Atom Molecular Weight | 296.193 | nRig | 22 |
Exact Molecular Weight | 308.068 | nRing | 4 |
Solubility: LogS | -4.062 | nHRing | 2 |
Solubility: LogP | 3.665 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | 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 | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 19 |
No. of Oxygen atom | 5 | No. of Arom Bond | 21 |
nHA | 5 | APOL | 42.0715 |
nHD | 1 | BPOL | 18.1145 |
QED | 0.607 |
Synth | 2.471 |
Natural Product Likeliness | 1.114 |
NR-PPAR-gamma | 0.778 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.609 |
Pgp-sub | 0.004 |
HIA | 0.006 |
CACO-2 | -4.761 |
MDCK | 0.0000228 |
BBB | 0.013 |
PPB | 0.921207 |
VDSS | 0.473 |
FU | 0.0778865 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.665 |
CYP2c19-inh | 0.935 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.743 |
CYP2c9-sub | 0.9 |
CYP2d6-inh | 0.778 |
CYP2d6-sub | 0.791 |
CYP3a4-inh | 0.837 |
CYP3a4-sub | 0.147 |
CL | 5.56 |
T12 | 0.628 |
hERG | 0.019 |
Ames | 0.342 |
ROA | 0.32 |
SkinSen | 0.149 |
Carcinogencity | 0.726 |
EI | 0.636 |
Respiratory | 0.658 |
NR-Aromatase | 0.907 |
Antiviral | Yes |
Prediction | 0.723543 |