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ASINEX-ZINC04064229

 MMsINC code: MMs00299914
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-/m1/s1

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Potential Energy
Epot(MMFF94)=4.04585 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: 0.0416245  Sterimol/B1: 2.33318  Sterimol/B2: 2.91078  Sterimol/B3: 3.58536
  Sterimol/B4: 5.11647  Sterimol/L: 16.7083 
 
 Surface and Volume Properties
  Accessible surface: 485.311  Positive charged surface: 321.859  Negative charged surface: 163.452  Volume: 228.375
  Hydrophobic surface: 292.758  Hydrophilic surface: 192.553
 
 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.