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ASINEX-ZINC03160858

 MMsINC code: MMs00287432
Type: Neutral
Formula: C10H19NO4S
SMILES:   S1(=O)(=O)CC(NCCCCCC(O)=O)CC1
InChI:   InChI=1/C10H19NO4S/c12-10(13)4-2-1-3-6-11-9-5-7-16(14,15)8-9/h9,11H,1-8H2,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=4.57826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.331 g/mol  logS: -0.30233  SlogP: 0.4081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043244  Sterimol/B1: 2.23733  Sterimol/B2: 2.78205  Sterimol/B3: 3.34525
  Sterimol/B4: 5.0729  Sterimol/L: 16.8084 
 
 Surface and Volume Properties
  Accessible surface: 488.827  Positive charged surface: 322.415  Negative charged surface: 166.411  Volume: 229.5
  Hydrophobic surface: 295.35  Hydrophilic surface: 193.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.