(E)-4-[[5-[[(E)-3-carboxylatoprop-2-enoyl]amino]naphthalen-1-yl]amino]-4-oxobut-2-enoate

Formula:C18H12N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-4-[[5-[[(E)-3-carboxylatoprop-2-enoyl]amino]naphthalen-1-yl]amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[[5-[[(E)-3-carboxylatoprop-2-enoyl]amino]naphthalen-1-yl]amino]-4-oxobut-2-enoate
MolecularFormula	C18H12N2O6
Smiles	[O-]C(/C=C/C(Nc1c(cccc2NC(/C=C/C([O-])=O)=O)c2ccc1)=O)=O
InChI	InChI=1S/C18H14N2O6/c21-15(7-9-17(23)24)19-13-5-1-3-11-12(13)4-2-6-14(11)20-16(22)8-10-18(25)26/h1-10H,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/p-2
InChIK	HPIVDRLTGFUGCE-UHFFFAOYSA-L
TotalMolweight	352.301
Molweight	352.301
MonoisotopicMass	352.069538
CLogP	-3.13
CLogS	-3.48
H Acceptors	8
H Donors	2
TotalSurfaceArea	269.84
Relative PSA	0.38408
PolarSurfaceArea	138.46
Druglikeness	-0.13705
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Symmetricatoms	13
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[[5-[[(E)-3-carboxylatoprop-2-enoyl]amino]naphthalen-1-yl]amino]-4-oxobut-2-enoate | 2 - (E)-4-[[5-[[(E)-3-carboxylatoprop-2-enoyl]amino]naphthalen-1-yl]amino]-4-oxobut-2-enoate

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