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CHEMDIV-ZINC05214028

 MMsINC code: MMs00995289
Type: Neutral
Formula: C10H21NO4S2
SMILES:   S(=O)(=O)(N(CCC)CCC)C1CCS(=O)(=O)C1
InChI:   InChI=1/C10H21NO4S2/c1-3-6-11(7-4-2)17(14,15)10-5-8-16(12,13)9-10/h10H,3-9H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=9.77685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.413 g/mol  logS: -0.99432  SlogP: 0.6253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14867  Sterimol/B1: 2.11588  Sterimol/B2: 4.21193  Sterimol/B3: 4.2474
  Sterimol/B4: 7.96038  Sterimol/L: 12.8275 
 
 Surface and Volume Properties
  Accessible surface: 476.632  Positive charged surface: 284.888  Negative charged surface: 191.743  Volume: 253.5
  Hydrophobic surface: 305.193  Hydrophilic surface: 171.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.