(5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C19H23N3O2Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C19H23N3O2Cl2S2
Smiles	O=C(/C(/S1)=C/c(cc2)ccc2N(CCCl)CCCl)N(CN2CCOCC2)C1=S
InChI	InChI=1S/C19H23Cl2N3O2S2/c20-5-7-23(8-6-21)16-3-1-15(2-4-16)13-17-18(25)24(19(27)28-17)14-22-9-11-26-12-10-22/h1-4,13H,5-12,14H2
InChIK	CVQVDWRDRYFJMI-UHFFFAOYSA-N
TotalMolweight	460.449
Molweight	460.449
MonoisotopicMass	459.060871
CLogP	2.2529
CLogS	-4.595
H Acceptors	5
TotalSurfaceArea	334.5
Relative PSA	0.23671
PolarSurfaceArea	93.41
Druglikeness	4.8815
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	methanediamine
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	7
Amides	1
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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