(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one

Formula:C26H31N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C26H31N3O4S
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C26H31N3O4S/c30-26(28-17-15-27(16-18-28)14-4-7-23-5-2-1-3-6-23)13-10-24-8-11-25(12-9-24)34(31,32)29-19-21-33-22-20-29/h1-13H,14-22H2
InChIK	ZIILIZABHOLXOY-UHFFFAOYSA-N
TotalMolweight	481.615
Molweight	481.615
MonoisotopicMass	481.203527
CLogP	2.9946
CLogS	-2.244
H Acceptors	7
TotalSurfaceArea	370.09
Relative PSA	0.16826
PolarSurfaceArea	78.54
Druglikeness	5.6082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67647
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	9
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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