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ENAMINE-ZINC02848290

 MMsINC code: MMs01287934
Type: Ionized
Formula: C19H22NO4S-
SMILES:   S(=O)(=O)(N(CCc1ccccc1)CC(=O)[O-])c1c(cc(cc1C)C)C
InChI:   InChI=1/C19H23NO4S/c1-14-11-15(2)19(16(3)12-14)25(23,24)20(13-18(21)22)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)/p-1

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Potential Energy
Epot(MMFF94)=76.7148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.454 g/mol  logS: -4.17896  SlogP: 1.59513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132236  Sterimol/B1: 2.51964  Sterimol/B2: 2.64285  Sterimol/B3: 5.67925
  Sterimol/B4: 7.75043  Sterimol/L: 15.2454 
 
 Surface and Volume Properties
  Accessible surface: 581.087  Positive charged surface: 323.581  Negative charged surface: 257.506  Volume: 344.75
  Hydrophobic surface: 474.712  Hydrophilic surface: 106.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs01287933
ENAMINE-ZINC02848290