Chemoinformaics analysis of GLAUCINE
Molecular Weight | 355.434 | nRot | 4 |
Heavy Atom Molecular Weight | 330.234 | nRig | 20 |
Exact Molecular Weight | 355.178 | nRing | 4 |
Solubility: LogS | -2.75 | nHRing | 1 |
Solubility: LogP | 2.686 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 56.0478 |
nHD | 0 | BPOL | 33.7342 |
QED | 0.84 |
Synth | 2.929 |
Natural Product Likeliness | 1.176 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.752 |
Pgp-sub | 0.923 |
HIA | 0.003 |
CACO-2 | -4.771 |
MDCK | 0.0000261 |
BBB | 0.974 |
PPB | 0.707246 |
VDSS | 1.74 |
FU | 0.169129 |
CYP1A2-inh | 0.112 |
CYP1A2-sub | 0.98 |
CYP2c19-inh | 0.054 |
CYP2c19-sub | 0.957 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.787 |
CYP2d6-inh | 0.075 |
CYP2d6-sub | 0.94 |
CYP3a4-inh | 0.054 |
CYP3a4-sub | 0.931 |
CL | 8.541 |
T12 | 0.478 |
hERG | 0.684 |
Ames | 0.185 |
ROA | 0.653 |
SkinSen | 0.135 |
Carcinogencity | 0.027 |
EI | 0.009 |
Respiratory | 0.933 |
NR-Aromatase | 0.627 |
Antiviral | Yes |
Prediction | 0.670778 |