(4Z)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C21H14N4O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C21H14N4O3S
Smiles	O=C(/C(/C1=O)=C/c(o2)ccc2Sc2nc(cccc3)c3[nH]2)NN1c1ccccc1
InChI	InChI=1S/C21H14N4O3S/c26-19-15(20(27)25(24-19)13-6-2-1-3-7-13)12-14-10-11-18(28-14)29-21-22-16-8-4-5-9-17(16)23-21/h1-12H,(H,22,23)(H,24,26)
InChIK	PPXSDJOCDWIZQJ-UHFFFAOYSA-N
TotalMolweight	402.433
Molweight	402.433
MonoisotopicMass	402.078661
CLogP	2.2925
CLogS	-4.101
H Acceptors	7
H Donors	2
TotalSurfaceArea	291.36
Relative PSA	0.33515
PolarSurfaceArea	116.53
Druglikeness	5.4486
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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