(5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C25H21N4O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H21N4O5Br
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(Br)c3)=O)=O)/C2=O)c1)N1CCOCC1
InChI	InChI=1S/C25H21BrN4O5/c26-17-4-3-5-18(13-17)30-24(33)20(23(32)27-25(30)34)12-16-14-29(21-7-2-1-6-19(16)21)15-22(31)28-8-10-35-11-9-28/h1-7,12-14H,8-11,15H2,(H,27,32,34)
InChIK	AKVKHZNKSNCKCR-UHFFFAOYSA-N
TotalMolweight	537.369
Molweight	537.369
MonoisotopicMass	536.069532
CLogP	2.2217
CLogS	-4.086
H Acceptors	9
H Donors	1
TotalSurfaceArea	355.02
Relative PSA	0.24672
PolarSurfaceArea	100.95
Druglikeness	3.8231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(3-bromophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

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