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

Formula:C22H14N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C22H14N2O4S
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=S
InChI	InChI=1S/C22H14N2O4S/c25-19(10-8-14-4-3-11-28-14)24-22(29)23-13-7-9-17-18(12-13)21(27)16-6-2-1-5-15(16)20(17)26/h1-12H,(H2,23,24,25,29)
InChIK	PIGWULAMIMWFLN-UHFFFAOYSA-N
TotalMolweight	402.429
Molweight	402.429
MonoisotopicMass	402.067428
CLogP	3.8812
CLogS	-6.839
H Acceptors	6
H Donors	2
TotalSurfaceArea	304.35
Relative PSA	0.3422
PolarSurfaceArea	120.5
Druglikeness	0.12167
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
StereoCon

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