Chemoinformaics analysis of MUCUSISOFLAVONE C
Molecular Weight | 674.702 | nRot | 7 |
Heavy Atom Molecular Weight | 640.43 | nRig | 38 |
Exact Molecular Weight | 674.215 | nRing | 6 |
Solubility: LogS | -2.007 | nHRing | 2 |
Solubility: LogP | 7.293 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 6 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 84 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 50 | No. of Aromatic Carbocycles | 4 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 40 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 32 |
No. of Oxygen atom | 10 | No. of Arom Bond | 34 |
nHA | 10 | APOL | 97.491 |
nHD | 6 | BPOL | 39.317 |
QED | 0.091 |
Synth | 4.172 |
Natural Product Likeliness | 1.544 |
NR-PPAR-gamma | 0.99 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.36 |
Pgp-sub | 0.997 |
HIA | 0.046 |
CACO-2 | -5.661 |
MDCK | 0.00000845 |
BBB | 0 |
PPB | 0.98241 |
VDSS | 0.547 |
FU | 0.0252715 |
CYP1A2-inh | 0.463 |
CYP1A2-sub | 0.174 |
CYP2c19-inh | 0.927 |
CYP2c19-sub | 0.037 |
CYP2c9-inh | 0.698 |
CYP2c9-sub | 0.935 |
CYP2d6-inh | 0.305 |
CYP2d6-sub | 0.202 |
CYP3a4-inh | 0.106 |
CYP3a4-sub | 0.082 |
CL | 3.09 |
T12 | 0.405 |
hERG | 0.073 |
Ames | 0.127 |
ROA | 0.89 |
SkinSen | 0.928 |
Carcinogencity | 0.026 |
EI | 0.892 |
Respiratory | 0.045 |
NR-Aromatase | 0.967 |
Antiviral | Yes |
Prediction | 0.969957 |