Chemoinformaics analysis of GAMMA-L-GLUTAMYL-ISOLEUCINE


Molecular Weight 259.282 nRot 8
Heavy Atom Molecular Weight 240.13 nRig 3
Exact Molecular Weight 259.13 nRing 0
Solubility: LogS -1.552 nHRing 0
Solubility: LogP -2.467 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 18 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 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 37.2491
nHD 2 BPOL 22.8309
QED 0.478
Synth 2.997
Natural Product Likeliness 0.386
NR-PPAR-gamma 0.016
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.082
HIA 0.42
CACO-2 -6.139
MDCK 0.00381884
BBB 0.585
PPB 0.090875
VDSS 0.371
FU 0.735215
CYP1A2-inh 0.003
CYP1A2-sub 0.027
CYP2c19-inh 0.042
CYP2c19-sub 0.044
CYP2c9-inh 0.066
CYP2c9-sub 0.56
CYP2d6-inh 0.045
CYP2d6-sub 0.113
CYP3a4-inh 0.017
CYP3a4-sub 0.012
CL 4.386
T12 0.737
hERG 0.01
Ames 0.003
ROA 0.01
SkinSen 0.09
Carcinogencity 0.017
EI 0.041
Respiratory 0.054
NR-Aromatase 0.004
Antiviral No
Prediction 0.686932