[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate

Formula:C25H17NO5 Mutagenic:low Tumorigenic:none Reproductive Effective:none [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C25H17NO5
Smiles	O=C(COC(/C=C/c1ccccc1)=O)Nc(cccc1C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C25H17NO5/c27-21(15-31-22(28)14-13-16-7-2-1-3-8-16)26-20-12-6-11-19-23(20)25(30)18-10-5-4-9-17(18)24(19)29/h1-14H,15H2,(H,26,27)
InChIK	JNIWRPRGXRMRDM-UHFFFAOYSA-N
TotalMolweight	411.412
Molweight	411.412
MonoisotopicMass	411.110674
CLogP	4.068
CLogS	-6.515
H Acceptors	6
H Donors	1
TotalSurfaceArea	312
Relative PSA	0.23596
PolarSurfaceArea	89.54
Druglikeness	0.44667
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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