N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Formula:C28H25N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
MolecularFormula	C28H25N3O2S2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C(/c1ccccc1)\Sc1nc(cccc2)c2s1)N1CCCCC1
InChI	InChI=1S/C28H25N3O2S2/c32-26(21-14-6-2-7-15-21)30-24(27(33)31-18-10-3-11-19-31)25(20-12-4-1-5-13-20)35-28-29-22-16-8-9-17-23(22)34-28/h1-2,4-9,12-17H,3,10-11,18-19H2,(H,30,32)
InChIK	NKMGDKLSQOBPEO-UHFFFAOYSA-N
TotalMolweight	499.658
Molweight	499.658
MonoisotopicMass	499.138817
CLogP	6.3225
CLogS	-5.256
H Acceptors	5
H Donors	1
TotalSurfaceArea	375.05
Relative PSA	0.23973
PolarSurfaceArea	115.84
Druglikeness	4.3454
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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