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NCID-ZINC05217539

 MMsINC code: MMs02449885
Type: Neutral
Formula: C12H21NO2S
SMILES:   S(CCCC)C1CC(=O)N(CCCC)C1=O
InChI:   InChI=1/C12H21NO2S/c1-3-5-7-13-11(14)9-10(12(13)15)16-8-6-4-2/h10H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=0.384218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.371 g/mol  logS: -3.15547  SlogP: 2.4473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0450742  Sterimol/B1: 2.13565  Sterimol/B2: 2.50795  Sterimol/B3: 3.9123
  Sterimol/B4: 6.55948  Sterimol/L: 16.3768 
 
 Surface and Volume Properties
  Accessible surface: 507.33  Positive charged surface: 357.848  Negative charged surface: 149.482  Volume: 247.375
  Hydrophobic surface: 367.611  Hydrophilic surface: 139.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.