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

Formula:C17H9N2O3BrCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3BrCl2S
Smiles	Oc(ccc(/C=C(\C(NC(N1c(cccc2Cl)c2Cl)=S)=O)/C1=O)c1)c1Br
InChI	InChI=1S/C17H9BrCl2N2O3S/c18-10-7-8(4-5-13(10)23)6-9-15(24)21-17(26)22(16(9)25)12-3-1-2-11(19)14(12)20/h1-7,23H,(H,21,24,26)
InChIK	ZGAKGMKUEQZBJW-UHFFFAOYSA-N
TotalMolweight	472.145
Molweight	472.145
MonoisotopicMass	469.889428
CLogP	4.1074
CLogS	-5.981
H Acceptors	5
H Donors	2
TotalSurfaceArea	290.02
Relative PSA	0.28339
PolarSurfaceArea	101.73
Druglikeness	1.8824
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-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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