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

Formula:C17H10N2O3BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O3BrClS
Smiles	Oc(cc1)c(/C=C(\C(NC(N2c3cccc(Br)c3)=S)=O)/C2=O)cc1Cl
InChI	InChI=1S/C17H10BrClN2O3S/c18-10-2-1-3-12(8-10)21-16(24)13(15(23)20-17(21)25)7-9-6-11(19)4-5-14(9)22/h1-8,22H,(H,20,23,25)
InChIK	DQBHMCKUNXPXMC-UHFFFAOYSA-N
TotalMolweight	437.7
Molweight	437.7
MonoisotopicMass	435.928401
CLogP	3.5014
CLogS	-5.245
H Acceptors	5
H Donors	2
TotalSurfaceArea	274.6
Relative PSA	0.29931
PolarSurfaceArea	101.73
Druglikeness	1.8824
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	2
StereoCon

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