Chemoinformaics analysis of Isoeuphorbetin
Molecular Weight | 354.27 | nRot | 1 |
Heavy Atom Molecular Weight | 344.19 | nRig | 24 |
Exact Molecular Weight | 354.038 | nRing | 4 |
Solubility: LogS | -3.814 | nHRing | 2 |
Solubility: LogP | 1.523 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | 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 | 20 |
No. of Oxygen atom | 8 | No. of Arom Bond | 22 |
nHA | 8 | APOL | 43.1439 |
nHD | 4 | BPOL | 15.2401 |
QED | 0.301 |
Synth | 2.843 |
Natural Product Likeliness | 1.038 |
NR-PPAR-gamma | 0.91 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.28 |
HIA | 0.653 |
CACO-2 | -5.103 |
MDCK | 0.00000747 |
BBB | 0.004 |
PPB | 0.946415 |
VDSS | 0.592 |
FU | 0.117129 |
CYP1A2-inh | 0.893 |
CYP1A2-sub | 0.548 |
CYP2c19-inh | 0.025 |
CYP2c19-sub | 0.043 |
CYP2c9-inh | 0.285 |
CYP2c9-sub | 0.37 |
CYP2d6-inh | 0.213 |
CYP2d6-sub | 0.215 |
CYP3a4-inh | 0.194 |
CYP3a4-sub | 0.051 |
CL | 9.919 |
T12 | 0.826 |
hERG | 0.116 |
Ames | 0.19 |
ROA | 0.057 |
SkinSen | 0.91 |
Carcinogencity | 0.428 |
EI | 0.658 |
Respiratory | 0.06 |
NR-Aromatase | 0.859 |
Antiviral | Yes |
Prediction | 0.592317 |