Chemoinformaics analysis of L-?-glutamyl-L-cysteine


Molecular Weight 250.276 nRot 7
Heavy Atom Molecular Weight 236.164 nRig 3
Exact Molecular Weight 250.062 nRing 0
Solubility: LogS -0.837 nHRing 0
Solubility: LogP -2.366 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 8 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 8 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 31.8051
nHD 5 BPOL 19.1089
QED 0.356
Synth 2.851
Natural Product Likeliness 0.695
NR-PPAR-gamma 0.054
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.021
HIA 0.072
CACO-2 -6.619
MDCK 0.00156029
BBB 0.071
PPB 0.120752
VDSS 0.328
FU 0.843308
CYP1A2-inh 0.001
CYP1A2-sub 0.013
CYP2c19-inh 0.032
CYP2c19-sub 0.034
CYP2c9-inh 0.057
CYP2c9-sub 0.439
CYP2d6-inh 0.009
CYP2d6-sub 0.133
CYP3a4-inh 0.011
CYP3a4-sub 0.003
CL 2.885
T12 0.834
hERG 0.008
Ames 0.912
ROA 0.02
SkinSen 0.145
Carcinogencity 0.107
EI 0.038
Respiratory 0.131
NR-Aromatase 0.003
Antiviral No
Prediction 0.886253