(4E)-1-phenyl-4-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]pyrazolidine-3,5-dione

Formula:C18H17N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4E)-1-phenyl-4-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-1-phenyl-4-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]pyrazolidine-3,5-dione
MolecularFormula	C18H17N3O3
Smiles	O=C(/C(/C1=O)=C\c2ccc(N3CCCC3)o2)NN1c1ccccc1
InChI	InChI=1S/C18H17N3O3/c22-17-15(18(23)21(19-17)13-6-2-1-3-7-13)12-14-8-9-16(24-14)20-10-4-5-11-20/h1-3,6-9,12H,4-5,10-11H2,(H,19,22)
InChIK	UHFILINHYQNIPS-UHFFFAOYSA-N
TotalMolweight	323.351
Molweight	323.351
MonoisotopicMass	323.126992
CLogP	1.3747
CLogS	-3.819
H Acceptors	6
H Donors	1
TotalSurfaceArea	243.02
Relative PSA	0.24175
PolarSurfaceArea	65.79
Druglikeness	6.1898
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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