(5Z)-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

Formula:C14H15N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
MolecularFormula	C14H15N3O4
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C/N2CCCC2)NC1=O
InChI	InChI=1S/C14H15N3O4/c18-12-11(9-16-5-1-2-6-16)13(19)17(14(20)15-12)8-10-4-3-7-21-10/h3-4,7,9H,1-2,5-6,8H2,(H,15,18,20)
InChIK	VTMYIZHVBSPPGA-UHFFFAOYSA-N
TotalMolweight	289.29
Molweight	289.29
MonoisotopicMass	289.106257
CLogP	-0.2135
CLogS	-1.81
H Acceptors	7
H Donors	1
TotalSurfaceArea	214.77
Relative PSA	0.33426
PolarSurfaceArea	82.86
Druglikeness	5.5225
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
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
Amides	2
StereoCon

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