(5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H10N2O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O4BrClS
Smiles	Oc(c(/C=C(\C(NC(N1c2cc(Cl)ccc2)=S)=O)/C1=O)c1)cc(O)c1Br
InChI	InChI=1S/C17H10BrClN2O4S/c18-12-5-8(13(22)7-14(12)23)4-11-15(24)20-17(26)21(16(11)25)10-3-1-2-9(19)6-10/h1-7,22-23H,(H,20,24,26)
InChIK	LABRUYGFPZSPQZ-UHFFFAOYSA-N
TotalMolweight	453.699
Molweight	453.699
MonoisotopicMass	451.923316
CLogP	3.1557
CLogS	-4.949
H Acceptors	6
H Donors	3
TotalSurfaceArea	280.95
Relative PSA	0.33917
PolarSurfaceArea	121.96
Druglikeness	1.8824
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	3
Amides	2
StereoCon

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1 - (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(5-bromo-2,4-dihydroxyphenyl)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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