Chemoinformaics analysis of Glycine-Max-Lectin
Molecular Weight | 1784.98 | nRot | 56 |
Heavy Atom Molecular Weight | 1658.98 | nRig | 36 |
Exact Molecular Weight | 1783.89 | nRing | 3 |
Solubility: LogS | -1.661 | nHRing | 1 |
Solubility: LogP | -2.02 | No. of Aliphatic Rings | 1 |
Acid Count | 4 | No. of Aromatic Rings | 2 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 251 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 126 | No. of Aromatic Carbocycles | 2 |
nHetero | 45 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 125 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 81 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 17 | No. of Arom Atom | 12 |
No. of Oxygen atom | 28 | No. of Arom Bond | 12 |
nHA | 26 | APOL | 259.775 |
nHD | 25 | BPOL | 150.443 |
QED | 0.027 |
Synth | 7.429 |
Natural Product Likeliness | 0.119 |
NR-PPAR-gamma | 0.351 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.453 |
HIA | 1 |
CACO-2 | -8.977 |
MDCK | 0.000206544 |
BBB | 0.001 |
PPB | 0.175476 |
VDSS | 0.314 |
FU | 0.288342 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.007 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.799 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.006 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0 |
CL | -0.319 |
T12 | 0.914 |
hERG | 0 |
Ames | 0.001 |
ROA | 0.747 |
SkinSen | 0.001 |
Carcinogencity | 0.001 |
EI | 0 |
Respiratory | 0 |
NR-Aromatase | 0.001 |
Antiviral | Yes |
Prediction | 0.888605 |