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ASINEX-ZINC04011284

 MMsINC code: MMs00296098
Type: Neutral
Formula: C9H17NO3S
SMILES:   S1(=O)(=O)CC(N2CCCCC2)C(O)C1
InChI:   InChI=1/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=25.6088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.305 g/mol  logS: -0.30005  SlogP: -0.3698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12504  Sterimol/B1: 2.92964  Sterimol/B2: 3.17397  Sterimol/B3: 3.60467
  Sterimol/B4: 3.8675  Sterimol/L: 11.7418 
 
 Surface and Volume Properties
  Accessible surface: 396.98  Positive charged surface: 272.152  Negative charged surface: 124.828  Volume: 197.875
  Hydrophobic surface: 283.382  Hydrophilic surface: 113.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00296099
ASINEX-ZINC04011284