Chemoinformaics analysis of gamma-l-glutamyl-l-arginine


Molecular Weight 303.319 nRot 10
Heavy Atom Molecular Weight 282.151 nRig 4
Exact Molecular Weight 303.154 nRing 0
Solubility: LogS -1.088 nHRing 0
Solubility: LogP -4.256 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 4 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 41.8827
nHD 6 BPOL 23.6713
QED 0.129
Synth 3.268
Natural Product Likeliness 0.264
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.405
HIA 0.951
CACO-2 -6.642
MDCK 0.000714011
BBB 0.153
PPB 0.194867
VDSS 0.83
FU 0.922908
CYP1A2-inh 0.001
CYP1A2-sub 0.007
CYP2c19-inh 0.034
CYP2c19-sub 0.029
CYP2c9-inh 0.141
CYP2c9-sub 0.034
CYP2d6-inh 0.001
CYP2d6-sub 0.173
CYP3a4-inh 0.001
CYP3a4-sub 0.003
CL 1.442
T12 0.628
hERG 0.022
Ames 0.04
ROA 0.005
SkinSen 0.65
Carcinogencity 0.045
EI 0.101
Respiratory 0.273
NR-Aromatase 0.002
Antiviral Yes
Prediction 0.658692