Chemoinformaics analysis of gamma-glutamyl-s-methylcysteine


Molecular Weight 264.303 nRot 8
Heavy Atom Molecular Weight 248.175 nRig 3
Exact Molecular Weight 264.078 nRing 0
Solubility: LogS -1.568 nHRing 0
Solubility: LogP -3.171 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 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 34.8087
nHD 4 BPOL 21.1153
QED 0.447
Synth 3.003
Natural Product Likeliness 0.409
NR-PPAR-gamma 0.028
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.305
HIA 0.019
CACO-2 -6.4
MDCK 0.0000146
BBB 0.338
PPB 0.127574
VDSS 0.362
FU 0.805877
CYP1A2-inh 0.002
CYP1A2-sub 0.021
CYP2c19-inh 0.034
CYP2c19-sub 0.038
CYP2c9-inh 0.108
CYP2c9-sub 0.473
CYP2d6-inh 0.015
CYP2d6-sub 0.118
CYP3a4-inh 0.014
CYP3a4-sub 0.005
CL 3.004
T12 0.761
hERG 0.009
Ames 0.017
ROA 0.005
SkinSen 0.136
Carcinogencity 0.042
EI 0.052
Respiratory 0.032
NR-Aromatase 0.004
Antiviral No
Prediction 0.824294