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AURORAFEINCHEMIE-ZINC02577261

 MMsINC code: MMs00455044
Type: Neutral
Formula: C10H21NO3S
SMILES:   S(O)(=O)(=O)C1(N(CC)CC)CCCCC1
InChI:   InChI=1/C10H21NO3S/c1-3-11(4-2)10(15(12,13)14)8-6-5-7-9-10/h3-9H2,1-2H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=95.2707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.348 g/mol  logS: -1.6905  SlogP: 1.3107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.675795  Sterimol/B1: 2.16566  Sterimol/B2: 3.40093  Sterimol/B3: 5.50672
  Sterimol/B4: 6.37291  Sterimol/L: 9.477 
 
 Surface and Volume Properties
  Accessible surface: 397.77  Positive charged surface: 263.647  Negative charged surface: 134.122  Volume: 219.25
  Hydrophobic surface: 264.837  Hydrophilic surface: 132.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00455045
AURORAFEINCHEMIE-ZINC02577261