Chemoinformaics analysis of gamma-Glutamylglutamate


Molecular Weight 276.245 nRot 9
Heavy Atom Molecular Weight 260.117 nRig 4
Exact Molecular Weight 276.096 nRing 0
Solubility: LogS -1.332 nHRing 0
Solubility: LogP -4.215 No. of Aliphatic Rings 0
Acid Count 3 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 9 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 10 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 5 APOL 35.1827
nHD 5 BPOL 19.5233
QED 0.343
Synth 2.751
Natural Product Likeliness 0.679
NR-PPAR-gamma 0.034
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.135
HIA 0.294
CACO-2 -6.479
MDCK 0.00321298
BBB 0.11
PPB 0.16529
VDSS 0.482
FU 0.694343
CYP1A2-inh 0.001
CYP1A2-sub 0.008
CYP2c19-inh 0.029
CYP2c19-sub 0.026
CYP2c9-inh 0.062
CYP2c9-sub 0.551
CYP2d6-inh 0.011
CYP2d6-sub 0.096
CYP3a4-inh 0.02
CYP3a4-sub 0
CL 2.469
T12 0.724
hERG 0.007
Ames 0.02
ROA 0.001
SkinSen 0.108
Carcinogencity 0.022
EI 0.066
Respiratory 0.021
NR-Aromatase 0.006
Antiviral No
Prediction 0.715963