(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C28H21NO2S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C28H21NO2S2
Smiles	O=C(/C(/S1)=C\c2cc(OCc3cccc4ccccc34)ccc2)N(Cc2ccccc2)C1=S
InChI	InChI=1S/C28H21NO2S2/c30-27-26(33-28(32)29(27)18-20-8-2-1-3-9-20)17-21-10-6-14-24(16-21)31-19-23-13-7-12-22-11-4-5-15-25(22)23/h1-17H,18-19H2
InChIK	QFBGFVIKUBHYQV-UHFFFAOYSA-N
TotalMolweight	467.612
Molweight	467.612
MonoisotopicMass	467.101369
CLogP	5.3577
CLogS	-7.408
H Acceptors	3
TotalSurfaceArea	354.36
Relative PSA	0.20341
PolarSurfaceArea	86.93
Druglikeness	3.76
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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