1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine

Formula:C22H28N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine is a drug-like molecule.

MolName	1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine
MolecularFormula	C22H28N4O4S2
Smiles	O=S(/C=C/c1ccccc1)(N(CC1)CCN1c(cc1)ncc1S(N1CCCCC1)(=O)=O)=O
InChI	InChI=1S/C22H28N4O4S2/c27-31(28,18-11-20-7-3-1-4-8-20)25-16-14-24(15-17-25)22-10-9-21(19-23-22)32(29,30)26-12-5-2-6-13-26/h1,3-4,7-11,18-19H,2,5-6,12-17H2
InChIK	DFPHVMPPVSIAGY-UHFFFAOYSA-N
TotalMolweight	476.62
Molweight	476.62
MonoisotopicMass	476.155196
CLogP	2.3902
CLogS	-3.424
H Acceptors	8
TotalSurfaceArea	343.18
Relative PSA	0.22956
PolarSurfaceArea	107.65
Druglikeness	1.1308
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
StereoCon

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