Chemoinformaics analysis of Jusmicranthin
Molecular Weight | 364.309 | nRot | 1 |
Heavy Atom Molecular Weight | 352.213 | nRig | 30 |
Exact Molecular Weight | 364.058 | nRing | 6 |
Solubility: LogS | -5.026 | nHRing | 3 |
Solubility: LogP | 3.072 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 3 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 47.0155 |
nHD | 1 | BPOL | 21.5865 |
QED | 0.664 |
Synth | 3.296 |
Natural Product Likeliness | 1.291 |
NR-PPAR-gamma | 0.064 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.077 |
Pgp-sub | 0.002 |
HIA | 0.002 |
CACO-2 | -5.004 |
MDCK | 0.0000487 |
BBB | 0.146 |
PPB | 0.971445 |
VDSS | 0.625 |
FU | 0.0138001 |
CYP1A2-inh | 0.962 |
CYP1A2-sub | 0.151 |
CYP2c19-inh | 0.958 |
CYP2c19-sub | 0.07 |
CYP2c9-inh | 0.77 |
CYP2c9-sub | 0.918 |
CYP2d6-inh | 0.94 |
CYP2d6-sub | 0.889 |
CYP3a4-inh | 0.827 |
CYP3a4-sub | 0.097 |
CL | 8.591 |
T12 | 0.269 |
hERG | 0.019 |
Ames | 0.557 |
ROA | 0.014 |
SkinSen | 0.213 |
Carcinogencity | 0.953 |
EI | 0.072 |
Respiratory | 0.344 |
NR-Aromatase | 0.216 |
Antiviral | Yes |
Prediction | 0.718865 |