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

Formula:C17H9N2O3Br3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3Br3S
Smiles	Oc(c(Br)cc(/C=C(\C(NC(N1c2cc(Br)ccc2)=S)=O)/C1=O)c1)c1Br
InChI	InChI=1S/C17H9Br3N2O3S/c18-9-2-1-3-10(7-9)22-16(25)11(15(24)21-17(22)26)4-8-5-12(19)14(23)13(20)6-8/h1-7,23H,(H,21,24,26)
InChIK	WRJCUIVJVIKXQY-UHFFFAOYSA-N
TotalMolweight	561.047
Molweight	561.047
MonoisotopicMass	557.788396
CLogP	4.3458
CLogS	-6.177
H Acceptors	5
H Donors	2
TotalSurfaceArea	296.44
Relative PSA	0.27726
PolarSurfaceArea	101.73
Druglikeness	1.8233
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
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
Symmetricatoms	3
Amides	2
StereoCon

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

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