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IFLAB-ZINC04159073

 MMsINC code: MMs02022836
Type: Neutral
Formula: C10H19NO2S
SMILES:   S1(=O)(=O)CC(N2CCCCCC2)CC1
InChI:   InChI=1/C10H19NO2S/c12-14(13)8-5-10(9-14)11-6-3-1-2-4-7-11/h10H,1-9H2/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=30.9229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.333 g/mol  logS: -0.90613  SlogP: 1.0495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124536  Sterimol/B1: 2.51192  Sterimol/B2: 3.35396  Sterimol/B3: 3.94472
  Sterimol/B4: 4.68903  Sterimol/L: 11.4441 
 
 Surface and Volume Properties
  Accessible surface: 401.218  Positive charged surface: 278.361  Negative charged surface: 122.857  Volume: 206.125
  Hydrophobic surface: 325.565  Hydrophilic surface: 75.653
 
 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


MMs02022837
IFLAB-ZINC04159073