(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H9N2O3Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3Cl3S
Smiles	Oc(cc1)c(/C=C(\C(NC(N2c(ccc(Cl)c3)c3Cl)=S)=O)/C2=O)cc1Cl
InChI	InChI=1S/C17H9Cl3N2O3S/c18-9-2-4-14(23)8(5-9)6-11-15(24)21-17(26)22(16(11)25)13-3-1-10(19)7-12(13)20/h1-7,23H,(H,21,24,26)
InChIK	CALBVRUHQLUENT-UHFFFAOYSA-N
TotalMolweight	427.694
Molweight	427.694
MonoisotopicMass	425.939944
CLogP	3.9882
CLogS	-5.883
H Acceptors	5
H Donors	2
TotalSurfaceArea	286.81
Relative PSA	0.28657
PolarSurfaceArea	101.73
Druglikeness	3.6724
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
StereoCon

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1 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1-(2,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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