(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-benzoylprop-2-enenitrile

Formula:C21H13N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-benzoylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-benzoylprop-2-enenitrile
MolecularFormula	C21H13N3O2S
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1
InChI	InChI=1S/C21H13N3O2S/c22-13-15(20(25)14-6-2-1-3-7-14)12-16-10-11-19(26-16)27-21-23-17-8-4-5-9-18(17)24-21/h1-12H,(H,23,24)
InChIK	QRYPIWKBRMJTQZ-UHFFFAOYSA-N
TotalMolweight	371.419
Molweight	371.419
MonoisotopicMass	371.072847
CLogP	4.1047
CLogS	-5.323
H Acceptors	5
H Donors	1
TotalSurfaceArea	287.06
Relative PSA	0.2897
PolarSurfaceArea	107.98
Druglikeness	-1.5998
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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