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ENAMINE-ZINC06079081

 MMsINC code: MMs01653039
Type: Neutral
Formula: C9H12ClNO2S
SMILES:   Clc1cc(S(=O)(=O)NCCC)ccc1
InChI:   InChI=1/C9H12ClNO2S/c1-2-6-11-14(12,13)9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3

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Potential Energy
Epot(MMFF94)=-3.14242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.719 g/mol  logS: -2.48613  SlogP: 2.0283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131499  Sterimol/B1: 2.85495  Sterimol/B2: 3.99061  Sterimol/B3: 4.62697
  Sterimol/B4: 5.95215  Sterimol/L: 12.0996 
 
 Surface and Volume Properties
  Accessible surface: 428.231  Positive charged surface: 208.87  Negative charged surface: 219.361  Volume: 201.625
  Hydrophobic surface: 321.873  Hydrophilic surface: 106.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.