Chemoinformaics analysis of L-(+)-LYSINE
Molecular Weight | 146.19 | nRot | 5 |
Heavy Atom Molecular Weight | 132.078 | nRig | 1 |
Exact Molecular Weight | 146.106 | nRing | 0 |
Solubility: LogS | -0.519 | nHRing | 0 |
Solubility: LogP | -3.603 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 23.1591 |
nHD | 3 | BPOL | 13.7729 |
QED | 0.457 |
Synth | 2.474 |
Natural Product Likeliness | 1.454 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.013 |
Pgp-sub | 0.013 |
HIA | 0.232 |
CACO-2 | -6.156 |
MDCK | 0.00568377 |
BBB | 0.294 |
PPB | 0.0599205 |
VDSS | 0.703 |
FU | 0.939453 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.045 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.118 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.288 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.036 |
CL | 6.617 |
T12 | 0.499 |
hERG | 0.039 |
Ames | 0.262 |
ROA | 0.185 |
SkinSen | 0.527 |
Carcinogencity | 0.09 |
EI | 0.088 |
Respiratory | 0.377 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.967691 |