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

Formula:C22H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(1,3-benzodioxol-5-yl)-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(1,3-benzodioxol-5-yl)-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C22H15N3O5
Smiles	O=C(/C(/C(N1c(cc2)cc3c2OCO3)=O)=C\c2cccn2-c2ccccc2)NC1=O
InChI	InChI=1S/C22H15N3O5/c26-20-17(11-15-7-4-10-24(15)14-5-2-1-3-6-14)21(27)25(22(28)23-20)16-8-9-18-19(12-16)30-13-29-18/h1-12H,13H2,(H,23,26,28)
InChIK	XRPHWIQQRLSBCL-UHFFFAOYSA-N
TotalMolweight	401.377
Molweight	401.377
MonoisotopicMass	401.101172
CLogP	2.5057
CLogS	-6.935
H Acceptors	8
H Donors	1
TotalSurfaceArea	288.46
Relative PSA	0.2808
PolarSurfaceArea	89.87
Druglikeness	4.907
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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