Chemoinformaics analysis of ERIODICTYOL-7-RHAMNOSIDE
Molecular Weight | 434.397 | nRot | 3 |
Heavy Atom Molecular Weight | 412.221 | nRig | 24 |
Exact Molecular Weight | 434.121 | nRing | 4 |
Solubility: LogS | -4.165 | nHRing | 2 |
Solubility: LogP | 0.992 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 2 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 21 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 10 | No. of Arom Bond | 12 |
nHA | 10 | APOL | 57.7594 |
nHD | 6 | BPOL | 28.1466 |
QED | 0.379 |
Synth | 4.127 |
Natural Product Likeliness | 2.204 |
NR-PPAR-gamma | 0.964 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.168 |
HIA | 0.689 |
CACO-2 | -6.405 |
MDCK | 0.0000136 |
BBB | 0.067 |
PPB | 0.938044 |
VDSS | 0.655 |
FU | 0.0827595 |
CYP1A2-inh | 0.037 |
CYP1A2-sub | 0.07 |
CYP2c19-inh | 0.041 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.042 |
CYP2c9-sub | 0.614 |
CYP2d6-inh | 0.194 |
CYP2d6-sub | 0.24 |
CYP3a4-inh | 0.09 |
CYP3a4-sub | 0.125 |
CL | 12.848 |
T12 | 0.336 |
hERG | 0.013 |
Ames | 0.642 |
ROA | 0.36 |
SkinSen | 0.385 |
Carcinogencity | 0.891 |
EI | 0.127 |
Respiratory | 0.212 |
NR-Aromatase | 0.19 |
Antiviral | Yes |
Prediction | 0.691245 |