5-[(E)-3-oxo-5-phenylpent-4-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C15H14N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(E)-3-oxo-5-phenylpent-4-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[(E)-3-oxo-5-phenylpent-4-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C15H14N2O3S
Smiles	O=C(CCC(C(NC(N1)=S)=O)C1=O)/C=C/c1ccccc1
InChI	InChI=1S/C15H14N2O3S/c18-11(7-6-10-4-2-1-3-5-10)8-9-12-13(19)16-15(21)17-14(12)20/h1-7,12H,8-9H2,(H2,16,17,19,20,21)
InChIK	RSNCIBMHZXGTTK-UHFFFAOYSA-N
TotalMolweight	302.353
Molweight	302.353
MonoisotopicMass	302.072513
CLogP	1.3731
CLogS	-3.256
H Acceptors	5
H Donors	2
TotalSurfaceArea	235.16
Relative PSA	0.38289
PolarSurfaceArea	107.36
Druglikeness	2.3333
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	5
Amides	2
StereoCon

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