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

Formula:C19H16N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-1-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-chlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H16N3O4Cl
Smiles	O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C\c2ccc(N3CCCC3)o2)NC1=O
InChI	InChI=1S/C19H16ClN3O4/c20-12-3-5-13(6-4-12)23-18(25)15(17(24)21-19(23)26)11-14-7-8-16(27-14)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,21,24,26)
InChIK	GEFAKOINLUQPLO-UHFFFAOYSA-N
TotalMolweight	385.806
Molweight	385.806
MonoisotopicMass	385.082934
CLogP	2.7925
CLogS	-5.552
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.19
Relative PSA	0.25993
PolarSurfaceArea	82.86
Druglikeness	6.5351
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
Amides	2
StereoCon

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