(5E)-1-cyclohexyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione

Formula:C21H20N2O3 Mutagenic:none Tumorigenic:high Reproductive Effective:high (5E)-1-cyclohexyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-cyclohexyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H20N2O3
Smiles	O=C(/C(/C(N1C2CCCCC2)=O)=C\c2cccc3ccccc23)NC1=O
InChI	InChI=1S/C21H20N2O3/c24-19-18(13-15-9-6-8-14-7-4-5-12-17(14)15)20(25)23(21(26)22-19)16-10-2-1-3-11-16/h4-9,12-13,16H,1-3,10-11H2,(H,22,24,26)
InChIK	VHLGWRGGRRBAQJ-UHFFFAOYSA-N
TotalMolweight	348.401
Molweight	348.401
MonoisotopicMass	348.147393
CLogP	3.4103
CLogS	-5.222
H Acceptors	5
H Donors	1
TotalSurfaceArea	261.88
Relative PSA	0.2067
PolarSurfaceArea	66.48
Druglikeness	-0.42795
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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