6-[[(E)-2,3-diphenylprop-2-enoyl]amino]hexanoic acid

Formula:C21H23NO3 Mutagenic:none Tumorigenic:low Reproductive Effective:high 6-[[(E)-2,3-diphenylprop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-2,3-diphenylprop-2-enoyl]amino]hexanoic acid
MolecularFormula	C21H23NO3
Smiles	OC(CCCCCNC(/C(/c1ccccc1)=C/c1ccccc1)=O)=O
InChI	InChI=1S/C21H23NO3/c23-20(24)14-8-3-9-15-22-21(25)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,22,25)(H,23,24)
InChIK	HOOLYVOWVFASNF-UHFFFAOYSA-N
TotalMolweight	337.418
Molweight	337.418
MonoisotopicMass	337.167794
CLogP	3.712
CLogS	-3.803
H Acceptors	4
H Donors	2
TotalSurfaceArea	279.84
Relative PSA	0.18096
PolarSurfaceArea	66.4
Druglikeness	-7.883
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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