Chemoinformaics analysis of L-GAMMA-GLUTAMYL-L-HYPOGLYCIN


Molecular Weight 270.285 nRot 8
Heavy Atom Molecular Weight 252.141 nRig 7
Exact Molecular Weight 270.122 nRing 1
Solubility: LogS -1.139 nHRing 0
Solubility: LogP -2.402 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 37 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 4 APOL 38.2523
nHD 4 BPOL 20.6617
QED 0.569
Synth 3.976
Natural Product Likeliness 0.718
NR-PPAR-gamma 0.013
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.022
HIA 0.845
CACO-2 -6.069
MDCK 0.000433187
BBB 0.487
PPB 0.168826
VDSS 0.346
FU 0.693979
CYP1A2-inh 0.006
CYP1A2-sub 0.034
CYP2c19-inh 0.031
CYP2c19-sub 0.042
CYP2c9-inh 0.126
CYP2c9-sub 0.251
CYP2d6-inh 0.049
CYP2d6-sub 0.137
CYP3a4-inh 0.02
CYP3a4-sub 0.045
CL 4.158
T12 0.694
hERG 0.013
Ames 0.014
ROA 0.024
SkinSen 0.473
Carcinogencity 0.164
EI 0.05
Respiratory 0.113
NR-Aromatase 0.006
Antiviral Yes
Prediction 0.726704