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IBS-ZINC02331780

 MMsINC code: MMs01834678
Type: Neutral
Formula: C10H20N2O4S
SMILES:   S(=O)(=O)(N(C)C)N1CCCCC1C(OCC)=O
InChI:   InChI=1/C10H20N2O4S/c1-4-16-10(13)9-7-5-6-8-12(9)17(14,15)11(2)3/h9H,4-8H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=28.1676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.346 g/mol  logS: -0.73698  SlogP: 0.2104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118887  Sterimol/B1: 2.6012  Sterimol/B2: 3.05592  Sterimol/B3: 4.2296
  Sterimol/B4: 6.99766  Sterimol/L: 12.5234 
 
 Surface and Volume Properties
  Accessible surface: 442.298  Positive charged surface: 340.857  Negative charged surface: 101.441  Volume: 238.625
  Hydrophobic surface: 355.46  Hydrophilic surface: 86.838
 
 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: no related molecules available.