(5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

Formula:C23H14N2O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
MolecularFormula	C23H14N2O6S
Smiles	N=C(N(C1=O)c(cc2)cc3c2OCO3)S/C1=C\c1ccc(-c(cc2)cc(CO3)c2C3=O)o1
InChI	InChI=1S/C23H14N2O6S/c24-23-25(14-2-5-18-19(8-14)30-11-29-18)21(26)20(32-23)9-15-3-6-17(31-15)12-1-4-16-13(7-12)10-28-22(16)27/h1-9,24H,10-11H2
InChIK	ZIHFOANSPAQDCM-UHFFFAOYSA-N
TotalMolweight	446.438
Molweight	446.438
MonoisotopicMass	446.057258
CLogP	2.943
CLogS	-6.361
H Acceptors	8
H Donors	1
TotalSurfaceArea	307.8
Relative PSA	0.34708
PolarSurfaceArea	127.36
Druglikeness	4.2119
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Amides	1
StereoCon

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1 - (5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-yl)-2-imino-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

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