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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