Chemoinformaics analysis of 5,8,11,14-Eicosatetraenoic acid, methyl ester, (all-Z)-


Molecular Weight 318.501 nRot 14
Heavy Atom Molecular Weight 284.229 nRig 5
Exact Molecular Weight 318.256 nRing 0
Solubility: LogS -3.043 nHRing 0
Solubility: LogP 3.107 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 57 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 59.345
nHD 0 BPOL 36.713
QED 0.213
Synth 2.772
Natural Product Likeliness 0.92
NR-PPAR-gamma 0.668
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0
HIA 0.037
CACO-2 -4.94
MDCK 0.000138531
BBB 0.104
PPB 0.987636
VDSS 2.679
FU 0.0141248
CYP1A2-inh 0.685
CYP1A2-sub 0.894
CYP2c19-inh 0.582
CYP2c19-sub 0.555
CYP2c9-inh 0.635
CYP2c9-sub 0.954
CYP2d6-inh 0.789
CYP2d6-sub 0.943
CYP3a4-inh 0.916
CYP3a4-sub 0.154
CL 4.033
T12 0.929
hERG 0.118
Ames 0.958
ROA 0.004
SkinSen 0.965
Carcinogencity 0.795
EI 0.099
Respiratory 0.818
NR-Aromatase 0.104
Antiviral No
Prediction 0.574194