Chemoinformaics analysis of GAMMA-L-GLUTAMYL-L-VALINE


Molecular Weight 246.263 nRot 7
Heavy Atom Molecular Weight 228.119 nRig 3
Exact Molecular Weight 246.122 nRing 0
Solubility: LogS -1.545 nHRing 0
Solubility: LogP -3.081 No. of Aliphatic Rings 0
Acid Count 2 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 17 No. of Aromatic Carbocycles 0
nHetero 7 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 10 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 4 APOL 34.9123
nHD 4 BPOL 20.6617
QED 0.474
Synth 2.747
Natural Product Likeliness 0.387
NR-PPAR-gamma 0.013
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.163
HIA 0.053
CACO-2 -6.228
MDCK 0.00540804
BBB 0.573
PPB 0.0890789
VDSS 0.345
FU 0.777914
CYP1A2-inh 0.003
CYP1A2-sub 0.019
CYP2c19-inh 0.043
CYP2c19-sub 0.04
CYP2c9-inh 0.135
CYP2c9-sub 0.682
CYP2d6-inh 0.047
CYP2d6-sub 0.109
CYP3a4-inh 0.022
CYP3a4-sub 0.018
CL 4.157
T12 0.683
hERG 0.009
Ames 0.011
ROA 0.007
SkinSen 0.148
Carcinogencity 0.012
EI 0.037
Respiratory 0.055
NR-Aromatase 0.003
Antiviral No
Prediction 0.838338