(E)-3-(furan-2-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide

Formula:C18H19N3O5S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(furan-2-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide
MolecularFormula	C18H19N3O5S2
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S
InChI	InChI=1S/C18H19N3O5S2/c22-17(8-5-15-2-1-11-26-15)20-18(27)19-14-3-6-16(7-4-14)28(23,24)21-9-12-25-13-10-21/h1-8,11H,9-10,12-13H2,(H2,19,20,22,27)
InChIK	ZOOLXGGGCWIHCP-UHFFFAOYSA-N
TotalMolweight	421.497
Molweight	421.497
MonoisotopicMass	421.076612
CLogP	1.5502
CLogS	-2.931
H Acceptors	8
H Donors	2
TotalSurfaceArea	313.01
Relative PSA	0.38401
PolarSurfaceArea	141.35
Druglikeness	2.2849
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	5
Amides	2
StereoCon

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