(E)-4-[4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenoxy]anilino]-4-oxobut-2-enoate

Formula:C20H14N2O7 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-4-[4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenoxy]anilino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[4-[4-[[(E)-3-carboxylatoprop-2-enoyl]amino]phenoxy]anilino]-4-oxobut-2-enoate
MolecularFormula	C20H14N2O7
Smiles	[O-]C(/C=C/C(Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/C([O-])=O)=O)=O)=O
InChI	InChI=1S/C20H16N2O7/c23-17(9-11-19(25)26)21-13-1-5-15(6-2-13)29-16-7-3-14(4-8-16)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/p-2
InChIK	YVWVFWWPASMBBP-UHFFFAOYSA-L
TotalMolweight	394.338
Molweight	394.338
MonoisotopicMass	394.080103
CLogP	-2.9288
CLogS	-4.171
H Acceptors	9
H Donors	2
TotalSurfaceArea	305
Relative PSA	0.37259
PolarSurfaceArea	147.69
Druglikeness	-0.1335
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	16
Amides	2
AcidicOxygens	2
StereoCon

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