Chemoinformaics analysis of GAMMA-L-GLUTAMYL-L-LEUCINE


Molecular Weight 259.282 nRot 8
Heavy Atom Molecular Weight 240.13 nRig 3
Exact Molecular Weight 259.13 nRing 0
Solubility: LogS -1.356 nHRing 0
Solubility: LogP -2.416 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 37.2491
nHD 2 BPOL 22.8309
QED 0.478
Synth 2.751
Natural Product Likeliness 0.528
NR-PPAR-gamma 0.043
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.037
HIA 0.064
CACO-2 -6.232
MDCK 0.00497401
BBB 0.567
PPB 0.0803306
VDSS 0.371
FU 0.801316
CYP1A2-inh 0.005
CYP1A2-sub 0.019
CYP2c19-inh 0.053
CYP2c19-sub 0.041
CYP2c9-inh 0.06
CYP2c9-sub 0.768
CYP2d6-inh 0.068
CYP2d6-sub 0.116
CYP3a4-inh 0.022
CYP3a4-sub 0.009
CL 4.359
T12 0.733
hERG 0.009
Ames 0.013
ROA 0.011
SkinSen 0.189
Carcinogencity 0.025
EI 0.052
Respiratory 0.041
NR-Aromatase 0.003
Antiviral No
Prediction 0.647068