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

Formula:C19H15N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-(3,4-dichlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-(3,4-dichlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C19H15N3O4Cl2
Smiles	O=C(/C(/C(N1c(cc2)cc(Cl)c2Cl)=O)=C/c2ccc(N3CCCC3)o2)NC1=O
InChI	InChI=1S/C19H15Cl2N3O4/c20-14-5-3-11(9-15(14)21)24-18(26)13(17(25)22-19(24)27)10-12-4-6-16(28-12)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,22,25,27)
InChIK	CAQKGVJDZNEJEX-UHFFFAOYSA-N
TotalMolweight	420.251
Molweight	420.251
MonoisotopicMass	419.043961
CLogP	3.3985
CLogS	-6.288
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.61
Relative PSA	0.24618
PolarSurfaceArea	82.86
Druglikeness	6.5351
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5Z)-1-(3,4-dichlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(3,4-dichlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

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