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KEYORGANICS-ZINC01557391

 MMsINC code: MMs02109757
Type: Neutral
Formula: C11H21NO2S
SMILES:   S1(=O)(=O)CCN(CC1)C1CCCCCC1
InChI:   InChI=1/C11H21NO2S/c13-15(14)9-7-12(8-10-15)11-5-3-1-2-4-6-11/h11H,1-10H2

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Potential Energy
Epot(MMFF94)=31.0717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.36 g/mol  logS: -1.7348  SlogP: 1.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163917  Sterimol/B1: 2.64763  Sterimol/B2: 3.3585  Sterimol/B3: 3.41532
  Sterimol/B4: 4.74667  Sterimol/L: 12.9551 
 
 Surface and Volume Properties
  Accessible surface: 420.68  Positive charged surface: 293.369  Negative charged surface: 127.311  Volume: 220.375
  Hydrophobic surface: 346.813  Hydrophilic surface: 73.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02109758
KEYORGANICS-ZINC01557391