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ASINEX-ZINC02903669

 MMsINC code: MMs00280782
Type: Neutral
Formula: C11H17FN2O2S
SMILES:   S(=O)(=O)(NCCCN(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

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Potential Energy
Epot(MMFF94)=11.0637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.333 g/mol  logS: -1.6175  SlogP: 1.0557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109985  Sterimol/B1: 2.21809  Sterimol/B2: 4.31981  Sterimol/B3: 4.71238
  Sterimol/B4: 5.61962  Sterimol/L: 14.2022 
 
 Surface and Volume Properties
  Accessible surface: 480.754  Positive charged surface: 318.857  Negative charged surface: 161.896  Volume: 238.25
  Hydrophobic surface: 395.268  Hydrophilic surface: 85.486
 
 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


MMs00280783
ASINEX-ZINC02903669