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

Formula:C17H11N2O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-(4-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5E)-1-(4-chlorophenyl)-5-[(2,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H11N2O4ClS
Smiles	Oc1cc(O)c(/C=C(\C(NC(N2c(cc3)ccc3Cl)=S)=O)/C2=O)cc1
InChI	InChI=1S/C17H11ClN2O4S/c18-10-2-4-11(5-3-10)20-16(24)13(15(23)19-17(20)25)7-9-1-6-12(21)8-14(9)22/h1-8,21-22H,(H,19,23,25)
InChIK	ZEYZQRKEMAZIKU-UHFFFAOYSA-N
TotalMolweight	374.803
Molweight	374.803
MonoisotopicMass	374.012805
CLogP	2.4305
CLogS	-4.115
H Acceptors	6
H Donors	3
TotalSurfaceArea	262.32
Relative PSA	0.36326
PolarSurfaceArea	121.96
Druglikeness	3.6724
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.56
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	3
Symmetricatoms	2
Amides	2
StereoCon

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