2-[[2-bromo-4-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile

Formula:C25H22N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[2-bromo-4-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[2-bromo-4-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C25H22N3O4Br
Smiles	N#Cc1c(COc(ccc(/C=C(\C(NC(N2C3CCCCC3)=O)=O)/C2=O)c2)c2Br)cccc1
InChI	InChI=1S/C25H22BrN3O4/c26-21-13-16(10-11-22(21)33-15-18-7-5-4-6-17(18)14-27)12-20-23(30)28-25(32)29(24(20)31)19-8-2-1-3-9-19/h4-7,10-13,19H,1-3,8-9,15H2,(H,28,30,32)
InChIK	PINMLCRWBOOMLB-UHFFFAOYSA-N
TotalMolweight	508.371
Molweight	508.371
MonoisotopicMass	507.079368
CLogP	4.1248
CLogS	-6.564
H Acceptors	7
H Donors	1
TotalSurfaceArea	351.14
Relative PSA	0.22125
PolarSurfaceArea	99.5
Druglikeness	-6.6333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[2-bromo-4-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-bromo-4-[(E)-(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzonitrile

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