(5E)-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Formula:C26H20N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C26H20N3O5Br
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C\c2cn(CCOc(cc3)ccc3Br)c3c2cccc3)NC1=O
InChI	InChI=1S/C26H20BrN3O5/c27-18-7-9-19(10-8-18)35-13-11-29-15-17(21-5-1-2-6-23(21)29)14-22-24(31)28-26(33)30(25(22)32)16-20-4-3-12-34-20/h1-10,12,14-15H,11,13,16H2,(H,28,31,33)
InChIK	CDQHGLBBXZYABV-UHFFFAOYSA-N
TotalMolweight	534.365
Molweight	534.365
MonoisotopicMass	533.058633
CLogP	3.4391
CLogS	-5.024
H Acceptors	8
H Donors	1
TotalSurfaceArea	362.4
Relative PSA	0.23485
PolarSurfaceArea	93.78
Druglikeness	4.0719
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

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