N-[(Z)-3-(4-aminobutylamino)-1-(4-chlorophenyl)sulfanyl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C26H26N3O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(4-aminobutylamino)-1-(4-chlorophenyl)sulfanyl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-(4-aminobutylamino)-1-(4-chlorophenyl)sulfanyl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C26H26N3O2ClS
Smiles	NCCCCNC(/C(/NC(c1ccccc1)=O)=C(\c1ccccc1)/Sc(cc1)ccc1Cl)=O
InChI	InChI=1S/C26H26ClN3O2S/c27-21-13-15-22(16-14-21)33-24(19-9-3-1-4-10-19)23(26(32)29-18-8-7-17-28)30-25(31)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18,28H2,(H,29,32)(H,30,31)
InChIK	QAOQRIMNULHZMV-UHFFFAOYSA-N
TotalMolweight	480.03
Molweight	480.03
MonoisotopicMass	479.143424
CLogP	5.0177
CLogS	-4.971
H Acceptors	5
H Donors	3
TotalSurfaceArea	370.59
Relative PSA	0.22062
PolarSurfaceArea	109.52
Druglikeness	1.7305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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