(5E)-1-(1,3-benzodioxol-5-yl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C22H19N3O5 Mutagenic:high Tumorigenic:low Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H19N3O5
Smiles	O=C(/C(/C(N1c(cc2)cc3c2OCO3)=O)=C\c(cc2)ccc2N2CCCC2)NC1=O
InChI	InChI=1S/C22H19N3O5/c26-20-17(11-14-3-5-15(6-4-14)24-9-1-2-10-24)21(27)25(22(28)23-20)16-7-8-18-19(12-16)30-13-29-18/h3-8,11-12H,1-2,9-10,13H2,(H,23,26,28)
InChIK	SBJHTEVHNPUYFL-UHFFFAOYSA-N
TotalMolweight	405.409
Molweight	405.409
MonoisotopicMass	405.132472
CLogP	2.7578
CLogS	-5.32
H Acceptors	8
H Donors	1
TotalSurfaceArea	291.34
Relative PSA	0.26663
PolarSurfaceArea	88.18
Druglikeness	5.5208
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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