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ACROSORGANICS-ZINC02168584

 MMsINC code: MMs00013091
Type: Neutral
Formula: C9H19NO4S
SMILES:   S(O)(=O)(=O)CC(O)CNC1CCCCC1
InChI:   InChI=1/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=6.96924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.32 g/mol  logS: -0.64663  SlogP: -0.4083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586458  Sterimol/B1: 3.12276  Sterimol/B2: 3.27068  Sterimol/B3: 3.53182
  Sterimol/B4: 4.14239  Sterimol/L: 15.0067 
 
 Surface and Volume Properties
  Accessible surface: 451.455  Positive charged surface: 304.528  Negative charged surface: 146.927  Volume: 214.25
  Hydrophobic surface: 281.384  Hydrophilic surface: 170.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.