Chemoinformaics analysis of furanchromone
Molecular Weight | 186.166 | nRot | 0 |
Heavy Atom Molecular Weight | 180.118 | nRig | 16 |
Exact Molecular Weight | 186.032 | nRing | 3 |
Solubility: LogS | -3.258 | nHRing | 2 |
Solubility: LogP | 2.368 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 13 |
No. of Oxygen atom | 3 | No. of Arom Bond | 15 |
nHA | 3 | APOL | 24.7768 |
nHD | 0 | BPOL | 10.3592 |
QED | 0.541 |
Synth | 2.52 |
Natural Product Likeliness | 0.86 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.979 |
HIA | 0.008 |
CACO-2 | -4.628 |
MDCK | 0.0000246 |
BBB | 0.035 |
PPB | 0.904487 |
VDSS | 1.724 |
FU | 0.125193 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.571 |
CYP2c19-inh | 0.819 |
CYP2c19-sub | 0.098 |
CYP2c9-inh | 0.209 |
CYP2c9-sub | 0.806 |
CYP2d6-inh | 0.657 |
CYP2d6-sub | 0.854 |
CYP3a4-inh | 0.234 |
CYP3a4-sub | 0.195 |
CL | 6.682 |
T12 | 0.517 |
hERG | 0.24 |
Ames | 0.133 |
ROA | 0.551 |
SkinSen | 0.472 |
Carcinogencity | 0.876 |
EI | 0.984 |
Respiratory | 0.934 |
NR-Aromatase | 0.317 |
Antiviral | No |
Prediction | 0.592242 |