(5E)-3-[6-(2-chlorophenothiazin-10-yl)-6-oxohexyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

Formula:C26H21N2O2ClS4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-3-[6-(2-chlorophenothiazin-10-yl)-6-oxohexyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-[6-(2-chlorophenothiazin-10-yl)-6-oxohexyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
MolecularFormula	C26H21N2O2ClS4
Smiles	O=C(CCCCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)N1c(cc(cc2)Cl)c2Sc2c1cccc2
InChI	InChI=1S/C26H21ClN2O2S4/c27-17-11-12-22-20(15-17)29(19-8-3-4-9-21(19)34-22)24(30)10-2-1-5-13-28-25(31)23(35-26(28)32)16-18-7-6-14-33-18/h3-4,6-9,11-12,14-16H,1-2,5,10,13H2
InChIK	HPQJBWNRMMFHLY-UHFFFAOYSA-N
TotalMolweight	557.182
Molweight	557.182
MonoisotopicMass	556.017435
CLogP	7.0198
CLogS	-8.934
H Acceptors	4
TotalSurfaceArea	394.44
Relative PSA	0.29541
PolarSurfaceArea	151.55
Druglikeness	-3.4284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Amides	2
StereoCon

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1 - (5E)-3-[6-(2-chlorophenothiazin-10-yl)-6-oxohexyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5E)-3-[6-(2-chlorophenothiazin-10-yl)-6-oxohexyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

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