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ASINEX-ZINC02903669

 MMsINC code: MMs00280783
Type: Ionized
Formula: C11H18FN2O2S+
SMILES:   S(=O)(=O)(NCCC[NH+](C)C)c1ccc(F)cc1
InChI:   InChI=1/C11H17FN2O2S/c1-14(2)9-3-8-13-17(15,16)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=4.74453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.341 g/mol  logS: -1.59311  SlogP: -0.3614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102383  Sterimol/B1: 2.61983  Sterimol/B2: 4.16776  Sterimol/B3: 4.79923
  Sterimol/B4: 5.64088  Sterimol/L: 14.1911 
 
 Surface and Volume Properties
  Accessible surface: 492.251  Positive charged surface: 329.887  Negative charged surface: 162.363  Volume: 241.625
  Hydrophobic surface: 345.05  Hydrophilic surface: 147.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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:


MMs00280782
ASINEX-ZINC02903669