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ENAMINE-ZINC02457736

 MMsINC code: MMs01251265
Type: Ionized
Formula: C15H19N2O5S-
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)CCC(=O)[O-])c1ccc(cc1)C
InChI:   InChI=1/C15H20N2O5S/c1-12-2-4-13(5-3-12)23(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=30.7789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.392 g/mol  logS: -2.00791  SlogP: -0.64198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130655  Sterimol/B1: 2.32927  Sterimol/B2: 3.35401  Sterimol/B3: 4.54135
  Sterimol/B4: 7.96025  Sterimol/L: 16.2256 
 
 Surface and Volume Properties
  Accessible surface: 567.459  Positive charged surface: 333.15  Negative charged surface: 234.309  Volume: 302.625
  Hydrophobic surface: 370.127  Hydrophilic surface: 197.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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MMs01251264
ENAMINE-ZINC02457736