Chemoinformaics analysis of 7-METHOXY-4-PHENYL-2H-CHROMEN-6-OL
Molecular Weight | 254.285 | nRot | 2 |
Heavy Atom Molecular Weight | 240.173 | nRig | 17 |
Exact Molecular Weight | 254.094 | nRing | 3 |
Solubility: LogS | -3.961 | nHRing | 1 |
Solubility: LogP | 3.214 | 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 | 2 |
nHetero | 3 | 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 | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 38.4611 |
nHD | 1 | BPOL | 17.5169 |
QED | 0.894 |
Synth | 2.301 |
Natural Product Likeliness | 1.42 |
NR-PPAR-gamma | 0.136 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.38 |
Pgp-sub | 0.815 |
HIA | 0.005 |
CACO-2 | -4.958 |
MDCK | 0.0000156 |
BBB | 0.362 |
PPB | 0.968081 |
VDSS | 0.884 |
FU | 0.0300712 |
CYP1A2-inh | 0.964 |
CYP1A2-sub | 0.926 |
CYP2c19-inh | 0.805 |
CYP2c19-sub | 0.214 |
CYP2c9-inh | 0.639 |
CYP2c9-sub | 0.817 |
CYP2d6-inh | 0.704 |
CYP2d6-sub | 0.873 |
CYP3a4-inh | 0.473 |
CYP3a4-sub | 0.592 |
CL | 11.901 |
T12 | 0.63 |
hERG | 0.248 |
Ames | 0.071 |
ROA | 0.767 |
SkinSen | 0.605 |
Carcinogencity | 0.658 |
EI | 0.013 |
Respiratory | 0.444 |
NR-Aromatase | 0.132 |
Antiviral | No |
Prediction | 0.657452 |