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

Formula:C22H17N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-[[1-[2-(2,4-dichlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[1-[2-(2,4-dichlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H17N3O5Cl2
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C\c2cccn2CCOc(ccc(Cl)c2)c2Cl)NC1=O
InChI	InChI=1S/C22H17Cl2N3O5/c23-14-5-6-19(18(24)11-14)32-10-8-26-7-1-3-15(26)12-17-20(28)25-22(30)27(21(17)29)13-16-4-2-9-31-16/h1-7,9,11-12H,8,10,13H2,(H,25,28,30)
InChIK	BRKAYXRUDKSWPB-UHFFFAOYSA-N
TotalMolweight	474.299
Molweight	474.299
MonoisotopicMass	473.054526
CLogP	2.663
CLogS	-4.185
H Acceptors	8
H Donors	1
TotalSurfaceArea	340.01
Relative PSA	0.25032
PolarSurfaceArea	93.78
Druglikeness	6.0965
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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

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