(5E)-1-cyclohexyl-5-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C25H25N3O3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (5E)-1-cyclohexyl-5-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-cyclohexyl-5-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H25N3O3
Smiles	O=C(/C(/C(N1C2CCCCC2)=O)=C\c(cc2)ccc2N(C2)Cc3c2cccc3)NC1=O
InChI	InChI=1S/C25H25N3O3/c29-23-22(24(30)28(25(31)26-23)21-8-2-1-3-9-21)14-17-10-12-20(13-11-17)27-15-18-6-4-5-7-19(18)16-27/h4-7,10-14,21H,1-3,8-9,15-16H2,(H,26,29,31)
InChIK	DNWGDSPPQASCDH-UHFFFAOYSA-N
TotalMolweight	415.492
Molweight	415.492
MonoisotopicMass	415.189592
CLogP	2.7043
CLogS	-5.212
H Acceptors	6
H Donors	1
TotalSurfaceArea	311.36
Relative PSA	0.18525
PolarSurfaceArea	69.72
Druglikeness	0.67099
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	8
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - (5E)-1-cyclohexyl-5-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-cyclohexyl-5-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

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