Chemoinformaics analysis of GAMMA-GLUTAMYL-S-ALLYLCYSTEINE


Molecular Weight 290.341 nRot 10
Heavy Atom Molecular Weight 272.197 nRig 4
Exact Molecular Weight 290.094 nRing 0
Solubility: LogS -1.757 nHRing 0
Solubility: LogP -2.625 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 19 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 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 39.4823
nHD 4 BPOL 23.1217
QED 0.32
Synth 3.252
Natural Product Likeliness 0.571
NR-PPAR-gamma 0.117
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.026
HIA 0.022
CACO-2 -6.302
MDCK 0.00000358
BBB 0.241
PPB 0.271266
VDSS 0.329
FU 0.602239
CYP1A2-inh 0.002
CYP1A2-sub 0.023
CYP2c19-inh 0.04
CYP2c19-sub 0.038
CYP2c9-inh 0.205
CYP2c9-sub 0.553
CYP2d6-inh 0.024
CYP2d6-sub 0.147
CYP3a4-inh 0.018
CYP3a4-sub 0.005
CL 2.772
T12 0.833
hERG 0.011
Ames 0.015
ROA 0.019
SkinSen 0.119
Carcinogencity 0.053
EI 0.051
Respiratory 0.148
NR-Aromatase 0.009
Antiviral No
Prediction 0.591668