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

Formula:C17H10N2O3ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C17H10N2O3ClFS
Smiles	Oc(ccc(/C=C(/C(NC(N1c(cc2)ccc2F)=S)=O)\C1=O)c1)c1Cl
InChI	InChI=1S/C17H10ClFN2O3S/c18-13-8-9(1-6-14(13)22)7-12-15(23)20-17(25)21(16(12)24)11-4-2-10(19)3-5-11/h1-8,22H,(H,20,23,25)
InChIK	CCOGCXPBPZHPKX-UHFFFAOYSA-N
TotalMolweight	376.794
Molweight	376.794
MonoisotopicMass	376.008468
CLogP	2.877
CLogS	-4.725
H Acceptors	5
H Donors	2
TotalSurfaceArea	262.32
Relative PSA	0.31332
PolarSurfaceArea	101.73
Druglikeness	2.3324
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	2
Symmetricatoms	2
Amides	2
StereoCon

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