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ENAMINE-ZINC01722952

 MMsINC code: MMs01243636
Type: Neutral
Formula: C10H13ClN2O3S
SMILES:   ClCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C10H13ClN2O3S/c1-13(2)17(15,16)9-5-3-8(4-6-9)12-10(14)7-11/h3-6H,7H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=46.1701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.744 g/mol  logS: -2.26581  SlogP: 1.1142  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0670146  Sterimol/B1: 2.61615  Sterimol/B2: 2.98205  Sterimol/B3: 4.44149
  Sterimol/B4: 4.67344  Sterimol/L: 14.9203 
 
 Surface and Volume Properties
  Accessible surface: 468.534  Positive charged surface: 276.784  Negative charged surface: 191.75  Volume: 233.625
  Hydrophobic surface: 296.381  Hydrophilic surface: 172.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.