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ENAMINE-ZINC02653665

 MMsINC code: MMs01277159
Type: Ionized
Formula: C14H11N2O5S-
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)N)c1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C14H12N2O5S/c15-13(17)11-6-1-2-7-12(11)16-22(20,21)10-5-3-4-9(8-10)14(18)19/h1-8,16H,(H2,15,17)(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=30.6713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.317 g/mol  logS: -3.52869  SlogP: -0.0502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.386272  Sterimol/B1: 3.77095  Sterimol/B2: 4.18804  Sterimol/B3: 4.3383
  Sterimol/B4: 6.96016  Sterimol/L: 11.5772 
 
 Surface and Volume Properties
  Accessible surface: 457.621  Positive charged surface: 214.167  Negative charged surface: 243.453  Volume: 265.375
  Hydrophobic surface: 234.508  Hydrophilic surface: 223.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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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Parent related molecule:


MMs01277158
ENAMINE-ZINC02653665