Chemoinformaics analysis of 5,8,11,14- Eicosatetraenoic acid


Molecular Weight 318.501 nRot 14
Heavy Atom Molecular Weight 284.229 nRig 5
Exact Molecular Weight 318.256 nRing 0
Solubility: LogS -6.316 nHRing 0
Solubility: LogP 6.766 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 0.664
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.012
HIA 0.007
CACO-2 -4.493
MDCK 0.0000274
BBB 0.349
PPB 0.940892
VDSS 1.734
FU 0.0270534
CYP1A2-inh 0.972
CYP1A2-sub 0.143
CYP2c19-inh 0.664
CYP2c19-sub 0.061
CYP2c9-inh 0.884
CYP2c9-sub 0.934
CYP2d6-inh 0.175
CYP2d6-sub 0.164
CYP3a4-inh 0.763
CYP3a4-sub 0.07
CL 10.344
T12 0.394
hERG 0.007
Ames 0.382
ROA 0.002
SkinSen 0.985
Carcinogencity 0.473
EI 0.94
Respiratory 0.806
NR-Aromatase 0.399
Antiviral No
Prediction 0.574194