Chemoinformaics analysis of  Gamma-L-Glutamyl-Lathyrine


Molecular Weight 182.183 nRot 3
Heavy Atom Molecular Weight 172.103 nRig 8
Exact Molecular Weight 182.08 nRing 1
Solubility: LogS -1.761 nHRing 1
Solubility: LogP -4.033 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 5 APOL 24.3619
nHD 3 BPOL 12.0401
QED 0.472
Synth 3.717
Natural Product Likeliness 0.201
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.646
HIA 0.021
CACO-2 -6.314
MDCK 0.00367989
BBB 0.942
PPB 0.119307
VDSS 0.518
FU 0.85516
CYP1A2-inh 0.006
CYP1A2-sub 0.064
CYP2c19-inh 0.042
CYP2c19-sub 0.045
CYP2c9-inh 0.011
CYP2c9-sub 0.024
CYP2d6-inh 0.009
CYP2d6-sub 0.177
CYP3a4-inh 0.008
CYP3a4-sub 0.023
CL 7.396
T12 0.823
hERG 0.071
Ames 0.013
ROA 0.157
SkinSen 0.797
Carcinogencity 0.653
EI 0.099
Respiratory 0.6
NR-Aromatase 0.004
Antiviral No
Prediction 0.885727