(5E)-1-(4-bromophenyl)-5-[[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C31H29N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-bromophenyl)-5-[[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(4-bromophenyl)-5-[[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C31H29N2O5Br
Smiles	O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C\c2cc(OCCOc3ccc(C4CCCCC4)cc3)ccc2)NC1=O
InChI	InChI=1S/C31H29BrN2O5/c32-24-11-13-25(14-12-24)34-30(36)28(29(35)33-31(34)37)20-21-5-4-8-27(19-21)39-18-17-38-26-15-9-23(10-16-26)22-6-2-1-3-7-22/h4-5,8-16,19-20,22H,1-3,6-7,17-18H2,(H,33,35,37)
InChIK	KZCSKVICGGEPDF-UHFFFAOYSA-N
TotalMolweight	589.484
Molweight	589.484
MonoisotopicMass	588.125984
CLogP	6.3724
CLogS	-7.756
H Acceptors	7
H Donors	1
TotalSurfaceArea	412.95
Relative PSA	0.17951
PolarSurfaceArea	84.94
Druglikeness	-9.0774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	2
StereoCon

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1 - (5E)-1-(4-bromophenyl)-5-[[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-bromophenyl)-5-[[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

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