(E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-phenylprop-2-enamide

Formula:C24H16N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C24H16N2O3S
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=S
InChI	InChI=1S/C24H16N2O3S/c27-21(13-10-15-6-2-1-3-7-15)26-24(30)25-16-11-12-19-20(14-16)23(29)18-9-5-4-8-17(18)22(19)28/h1-14H,(H2,25,26,27,30)
InChIK	PEHPTHXPLGXNJS-UHFFFAOYSA-N
TotalMolweight	412.468
Molweight	412.468
MonoisotopicMass	412.088163
CLogP	4.6925
CLogS	-7.157
H Acceptors	5
H Donors	2
TotalSurfaceArea	314.66
Relative PSA	0.28615
PolarSurfaceArea	107.36
Druglikeness	-0.1475
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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