(5E)-1-(oxolan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione

Formula:C14H14N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(oxolan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(oxolan-2-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
MolecularFormula	C14H14N2O4S
Smiles	O=C(/C(/C(N1CC2OCCC2)=O)=C\c2cccs2)NC1=O
InChI	InChI=1S/C14H14N2O4S/c17-12-11(7-10-4-2-6-21-10)13(18)16(14(19)15-12)8-9-3-1-5-20-9/h2,4,6-7,9H,1,3,5,8H2,(H,15,17,19)/t9-/m1/s1
InChIK	HYZNETGXVVCRQN-SECBINFHSA-N
TotalMolweight	306.341
Molweight	306.341
MonoisotopicMass	306.067428
CLogP	0.8266
CLogS	-2.737
H Acceptors	6
H Donors	1
TotalSurfaceArea	219.46
Relative PSA	0.38499
PolarSurfaceArea	103.95
Druglikeness	5.5353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Amides	2
StereoCon	racemate

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