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NCID-ZINC01711573

 MMsINC code: MMs02338582
Type: Neutral
Formula: C9H17NO2S
SMILES:   S1(=O)(=O)CC(N2CCCCC2)C1C
InChI:   InChI=1/C9H17NO2S/c1-8-9(7-13(8,11)12)10-5-3-2-4-6-10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=32.0724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.306 g/mol  logS: -0.8298  SlogP: 0.6578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17365  Sterimol/B1: 2.21987  Sterimol/B2: 2.3303  Sterimol/B3: 4.25572
  Sterimol/B4: 5.35632  Sterimol/L: 11.6858 
 
 Surface and Volume Properties
  Accessible surface: 382.319  Positive charged surface: 214.05  Negative charged surface: 112.084  Volume: 193.375
  Hydrophobic surface: 287.199  Hydrophilic surface: 95.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02338583
NCID-ZINC01711573