(5Z)-1-(furan-2-ylmethyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C20H19N3O4 Mutagenic:high Tumorigenic:low Reproductive Effective:high (5Z)-1-(furan-2-ylmethyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(furan-2-ylmethyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H19N3O4
Smiles	O=C(/C(/C(N1Cc2ccco2)=O)=C/c(cc2)ccc2N2CCCC2)NC1=O
InChI	InChI=1S/C20H19N3O4/c24-18-17(12-14-5-7-15(8-6-14)22-9-1-2-10-22)19(25)23(20(26)21-18)13-16-4-3-11-27-16/h3-8,11-12H,1-2,9-10,13H2,(H,21,24,26)
InChIK	IZMLQGQBOKHTFV-UHFFFAOYSA-N
TotalMolweight	365.388
Molweight	365.388
MonoisotopicMass	365.137557
CLogP	1.758
CLogS	-3.769
H Acceptors	7
H Donors	1
TotalSurfaceArea	274.53
Relative PSA	0.2615
PolarSurfaceArea	82.86
Druglikeness	5.5225
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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