(E)-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Formula:C24H29N3O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C24H29N3O7S2
Smiles	Oc(ccc(S(N1CCCCC1)(=O)=O)c1)c1NC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O
InChI	InChI=1S/C24H29N3O7S2/c28-23-10-9-21(36(32,33)26-12-2-1-3-13-26)18-22(23)25-24(29)11-6-19-4-7-20(8-5-19)35(30,31)27-14-16-34-17-15-27/h4-11,18,28H,1-3,12-17H2,(H,25,29)
InChIK	WAHQOJJQCYYNCB-UHFFFAOYSA-N
TotalMolweight	535.64
Molweight	535.64
MonoisotopicMass	535.144692
CLogP	2.0402
CLogS	-2.503
H Acceptors	10
H Donors	2
TotalSurfaceArea	379.68
Relative PSA	0.29462
PolarSurfaceArea	150.08
Druglikeness	0.5846
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	8
Amides	3
StereoCon

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