5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C14H12N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C14H12N2O3S
Smiles	C=CCc1cccc(C=C(C(NC(N2)=S)=O)C2=O)c1O
InChI	InChI=1S/C14H12N2O3S/c1-2-4-8-5-3-6-9(11(8)17)7-10-12(18)15-14(20)16-13(10)19/h2-3,5-7,17H,1,4H2,(H2,15,16,18,19,20)
InChIK	XGRJFJXSULAEFK-UHFFFAOYSA-N
TotalMolweight	288.326
Molweight	288.326
MonoisotopicMass	288.056863
CLogP	1.4505
CLogS	-2.904
H Acceptors	5
H Donors	3
TotalSurfaceArea	220.25
Relative PSA	0.40908
PolarSurfaceArea	110.52
Druglikeness	-0.079551
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	3
Amides	2
StereoCon

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