4-[3-[(E)-3-[3-(3-carboxypropanoylamino)phenyl]-3-oxoprop-1-enyl]anilino]-4-oxobutanoic acid

Formula:C23H22N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[3-[(E)-3-[3-(3-carboxypropanoylamino)phenyl]-3-oxoprop-1-enyl]anilino]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-[3-[(E)-3-[3-(3-carboxypropanoylamino)phenyl]-3-oxoprop-1-enyl]anilino]-4-oxobutanoic acid
MolecularFormula	C23H22N2O7
Smiles	OC(CCC(Nc1cccc(/C=C/C(c2cc(NC(CCC(O)=O)=O)ccc2)=O)c1)=O)=O
InChI	InChI=1S/C23H22N2O7/c26-19(16-4-2-6-18(14-16)25-21(28)10-12-23(31)32)8-7-15-3-1-5-17(13-15)24-20(27)9-11-22(29)30/h1-8,13-14H,9-12H2,(H,24,27)(H,25,28)(H,29,30)(H,31,32)
InChIK	BTBXHJPPYXSSJX-UHFFFAOYSA-N
TotalMolweight	438.435
Molweight	438.435
MonoisotopicMass	438.142703
CLogP	1.9762
CLogS	-4.554
H Acceptors	9
H Donors	4
TotalSurfaceArea	338.93
Relative PSA	0.3373
PolarSurfaceArea	149.87
Druglikeness	1.0006
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	2
AcidicOxygens	2
StereoCon

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