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ENAMINE-ZINC05497031

 MMsINC code: MMs01617214
Type: Neutral
Formula: C17H27ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC(CN(C)C2CCCCC2)(C)C)cc1
InChI:   InChI=1/C17H27ClN2O2S/c1-17(2,13-20(3)15-7-5-4-6-8-15)19-23(21,22)16-11-9-14(18)10-12-16/h9-12,15,19H,4-8,13H2,1-3H3

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Potential Energy
Epot(MMFF94)=81.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.934 g/mol  logS: -3.9806  SlogP: 3.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084448  Sterimol/B1: 2.41978  Sterimol/B2: 3.72429  Sterimol/B3: 5.23285
  Sterimol/B4: 5.5707  Sterimol/L: 17.4898 
 
 Surface and Volume Properties
  Accessible surface: 577.255  Positive charged surface: 343.299  Negative charged surface: 233.956  Volume: 337.625
  Hydrophobic surface: 493.929  Hydrophilic surface: 83.326
 
 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


MMs01617215
ENAMINE-ZINC05497031