(5Z)-5-[[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C18H15N3O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C18H15N3O5S2
Smiles	[O-][N+](c(cc(cc1)-c2ccc(/C=C(/C(N3)=O)\SC3=S)o2)c1N1CCOCC1)=O
InChI	InChI=1S/C18H15N3O5S2/c22-17-16(28-18(27)19-17)10-12-2-4-15(26-12)11-1-3-13(14(9-11)21(23)24)20-5-7-25-8-6-20/h1-4,9-10H,5-8H2,(H,19,22,27)
InChIK	MOTAQJYAJPBPIU-UHFFFAOYSA-N
TotalMolweight	417.465
Molweight	417.465
MonoisotopicMass	417.045312
CLogP	0.8305
CLogS	-5.523
H Acceptors	8
H Donors	1
TotalSurfaceArea	298.84
Relative PSA	0.42856
PolarSurfaceArea	157.92
Druglikeness	-0.66745
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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