Chemoinformaics analysis of glucolepidiin
Molecular Weight | 347.367 | nRot | 5 |
Heavy Atom Molecular Weight | 330.231 | nRig | 9 |
Exact Molecular Weight | 347.034 | nRing | 1 |
Solubility: LogS | -0.04 | nHRing | 1 |
Solubility: LogP | -1.367 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 9 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 40.4835 |
nHD | 5 | BPOL | 29.6425 |
QED | 0.163 |
Synth | 4.485 |
Natural Product Likeliness | 1.33 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.015 |
HIA | 0.979 |
CACO-2 | -5.809 |
MDCK | 0.0000886 |
BBB | 0.273 |
PPB | 0.601537 |
VDSS | 0.699 |
FU | 0.540609 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.041 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.053 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.783 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.122 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.002 |
CL | 0.797 |
T12 | 0.532 |
hERG | 0.008 |
Ames | 0.027 |
ROA | 0.138 |
SkinSen | 0.044 |
Carcinogencity | 0.073 |
EI | 0.008 |
Respiratory | 0.45 |
NR-Aromatase | 0.012 |
Antiviral | No |
Prediction | 0.7667 |