Chemoinformaics analysis of GAMMA-GLUTAMYL-CYSTEINE


Molecular Weight 250.276 nRot 7
Heavy Atom Molecular Weight 236.164 nRig 3
Exact Molecular Weight 250.062 nRing 0
Solubility: LogS -1.223 nHRing 0
Solubility: LogP -3.105 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 2.933
Natural Product Likeliness 0.607
NR-PPAR-gamma 0.025
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.018
HIA 0.056
CACO-2 -6.624
MDCK 0.002904
BBB 0.126
PPB 0.123833
VDSS 0.393
FU 0.822875
CYP1A2-inh 0.001
CYP1A2-sub 0.014
CYP2c19-inh 0.034
CYP2c19-sub 0.034
CYP2c9-inh 0.081
CYP2c9-sub 0.423
CYP2d6-inh 0.011
CYP2d6-sub 0.121
CYP3a4-inh 0.015
CYP3a4-sub 0.002
CL 3.33
T12 0.688
hERG 0.009
Ames 0.779
ROA 0.014
SkinSen 0.226
Carcinogencity 0.038
EI 0.04
Respiratory 0.225
NR-Aromatase 0.003
Antiviral No
Prediction 0.882928