(5Z)-1-(4-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C17H9N2O3Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-(4-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-1-(4-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H9N2O3Cl3S
Smiles	Oc(c(/C=C(/C(NC(N1c(cc2)ccc2Cl)=S)=O)\C1=O)cc(Cl)c1)c1Cl
InChI	InChI=1S/C17H9Cl3N2O3S/c18-9-1-3-11(4-2-9)22-16(25)12(15(24)21-17(22)26)6-8-5-10(19)7-13(20)14(8)23/h1-7,23H,(H,21,24,26)
InChIK	DVPOZLGNMSDJRM-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	high
Reproductive Effective	high
Irritant	high
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	2
Amides	2
StereoCon

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1 - (5Z)-1-(4-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-1-(4-chlorophenyl)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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