(5E)-1-cyclohexyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C25H28N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-cyclohexyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-cyclohexyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H28N4O4
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2C3CCCCC3)=O)=O)/C2=O)c1)N1CCCC1
InChI	InChI=1S/C25H28N4O4/c30-22(27-12-6-7-13-27)16-28-15-17(19-10-4-5-11-21(19)28)14-20-23(31)26-25(33)29(24(20)32)18-8-2-1-3-9-18/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16H2,(H,26,31,33)
InChIK	NOFZQWASIQQVCL-UHFFFAOYSA-N
TotalMolweight	448.521
Molweight	448.521
MonoisotopicMass	448.211056
CLogP	2.379
CLogS	-3.6
H Acceptors	8
H Donors	1
TotalSurfaceArea	334.43
Relative PSA	0.23201
PolarSurfaceArea	91.72
Druglikeness	2.2804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	11
Symmetricatoms	4
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-1-cyclohexyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-cyclohexyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

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