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ASINEX-ZINC00178196

 MMsINC code: MMs00085493
Type: Neutral
Formula: C10H22N2O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(CC)C)CC
InChI:   InChI=1/C10H22N2O2S/c1-4-10(3)11-6-8-12(9-7-11)15(13,14)5-2/h10H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=35.4415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.364 g/mol  logS: -0.70471  SlogP: 0.7522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11865  Sterimol/B1: 2.23662  Sterimol/B2: 3.12692  Sterimol/B3: 4.07235
  Sterimol/B4: 5.87899  Sterimol/L: 13.7671 
 
 Surface and Volume Properties
  Accessible surface: 450.381  Positive charged surface: 325.406  Negative charged surface: 124.976  Volume: 234.5
  Hydrophobic surface: 334.448  Hydrophilic surface: 115.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00085494
ASINEX-ZINC00178196