Chemoinformaics analysis of Globularin
Molecular Weight | 492.477 | nRot | 7 |
Heavy Atom Molecular Weight | 464.253 | nRig | 26 |
Exact Molecular Weight | 492.163 | nRing | 5 |
Solubility: LogS | -3.601 | nHRing | 3 |
Solubility: LogP | 0.722 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 63 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 35 | No. of Aromatic Carbocycles | 1 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 24 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 11 | No. of Arom Bond | 6 |
nHA | 11 | APOL | 67.5722 |
nHD | 5 | BPOL | 37.6378 |
QED | 0.174 |
Synth | 4.933 |
Natural Product Likeliness | 2.427 |
NR-PPAR-gamma | 0.063 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.845 |
HIA | 0.652 |
CACO-2 | -5.806 |
MDCK | 0.0000564 |
BBB | 0.121 |
PPB | 0.612056 |
VDSS | 0.671 |
FU | 0.266577 |
CYP1A2-inh | 0.038 |
CYP1A2-sub | 0.028 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.079 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.047 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.101 |
CYP3a4-inh | 0.059 |
CYP3a4-sub | 0.086 |
CL | 1.294 |
T12 | 0.851 |
hERG | 0.087 |
Ames | 0.181 |
ROA | 0.066 |
SkinSen | 0.587 |
Carcinogencity | 0.678 |
EI | 0.131 |
Respiratory | 0.778 |
NR-Aromatase | 0.523 |
Antiviral | Yes |
Prediction | 0.84933 |