4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide

Formula:C24H28N4O6S Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide is not a drug-like molecule.

MolName	4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
MolecularFormula	C24H28N4O6S
Smiles	CN(C)S(c(cc1)ccc1/C(/O)=C(/C(c1cnccc1)N(CCN1CCOCC1)C1=O)\C1=O)(=O)=O
InChI	InChI=1S/C24H28N4O6S/c1-26(2)35(32,33)19-7-5-17(6-8-19)22(29)20-21(18-4-3-9-25-16-18)28(24(31)23(20)30)11-10-27-12-14-34-15-13-27/h3-9,16,21,29H,10-15H2,1-2H3/t21-/m1/s1
InChIK	GEIARGIYRPNJDK-OAQYLSRUSA-N
TotalMolweight	500.574
Molweight	500.574
MonoisotopicMass	500.172956
CLogP	-0.1744
CLogS	0.018
H Acceptors	10
H Donors	1
TotalSurfaceArea	358.61
Relative PSA	0.27713
PolarSurfaceArea	128.73
Druglikeness	2.8103
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

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1 - 4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide | 2 - 4-[(E)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide

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