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ENAMINE-ZINC03124746

 MMsINC code: MMs01290857
Type: Neutral
Formula: C11H14N2O5S2
SMILES:   S(=O)(=O)(NC(=O)Nc1ccccc1)C1CCS(=O)(=O)C1
InChI:   InChI=1/C11H14N2O5S2/c14-11(12-9-4-2-1-3-5-9)13-20(17,18)10-6-7-19(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.9391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.374 g/mol  logS: -2.11306  SlogP: 0.325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131481  Sterimol/B1: 2.81989  Sterimol/B2: 4.40853  Sterimol/B3: 4.48327
  Sterimol/B4: 5.40174  Sterimol/L: 14.5756 
 
 Surface and Volume Properties
  Accessible surface: 497.389  Positive charged surface: 247.298  Negative charged surface: 250.091  Volume: 252.75
  Hydrophobic surface: 308.03  Hydrophilic surface: 189.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Ions/Tautomers related molecules: no related molecules available.