Chemoinformaics analysis of gamma-Glutamylphenylalanine


Molecular Weight 294.307 nRot 8
Heavy Atom Molecular Weight 276.163 nRig 9
Exact Molecular Weight 294.122 nRing 1
Solubility: LogS -1.738 nHRing 0
Solubility: LogP -2.314 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
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 14 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 5 No. of Arom Bond 6
nHA 4 APOL 41.5923
nHD 4 BPOL 20.6617
QED 0.533
Synth 2.531
Natural Product Likeliness 0.318
NR-PPAR-gamma 0.038
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.036
HIA 0.182
CACO-2 -6.238
MDCK 0.00242507
BBB 0.277
PPB 0.220322
VDSS 0.296
FU 0.643031
CYP1A2-inh 0.007
CYP1A2-sub 0.016
CYP2c19-inh 0.062
CYP2c19-sub 0.042
CYP2c9-inh 0.063
CYP2c9-sub 0.606
CYP2d6-inh 0.08
CYP2d6-sub 0.146
CYP3a4-inh 0.024
CYP3a4-sub 0.013
CL 3.935
T12 0.757
hERG 0.024
Ames 0.012
ROA 0.029
SkinSen 0.153
Carcinogencity 0.025
EI 0.033
Respiratory 0.039
NR-Aromatase 0.006
Antiviral Yes
Prediction 0.838616