Chemoinformaics analysis of  Y-L-Glutamyl-Alpha-Amino-B-(2-Methylene-Cyclopropyl)-Propionic-Acid


Molecular Weight 270.285 nRot 8
Heavy Atom Molecular Weight 252.141 nRig 7
Exact Molecular Weight 270.122 nRing 1
Solubility: LogS -1.063 nHRing 0
Solubility: LogP -2.173 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 0.449
Synth 3.444
Natural Product Likeliness 1.439
NR-PPAR-gamma 0.065
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.016
HIA 0.061
CACO-2 -6.285
MDCK 0.00255494
BBB 0.268
PPB 0.276958
VDSS 0.247
FU 0.739964
CYP1A2-inh 0.001
CYP1A2-sub 0.016
CYP2c19-inh 0.032
CYP2c19-sub 0.037
CYP2c9-inh 0.104
CYP2c9-sub 0.634
CYP2d6-inh 0.017
CYP2d6-sub 0.146
CYP3a4-inh 0.012
CYP3a4-sub 0.009
CL 2.661
T12 0.85
hERG 0.01
Ames 0.016
ROA 0.058
SkinSen 0.049
Carcinogencity 0.43
EI 0.02
Respiratory 0.132
NR-Aromatase 0.004
Antiviral Yes
Prediction 0.726704