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NCID-ZINC01732466

 MMsINC code: MMs02355204
Type: Neutral
Formula: C8H17NO3S
SMILES:   S(=O)(=O)(N1CC(OC(C1)C)C)CC
InChI:   InChI=1/C8H17NO3S/c1-4-13(10,11)9-5-7(2)12-8(3)6-9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=30.6532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.294 g/mol  logS: -0.74769  SlogP: 0.4453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139119  Sterimol/B1: 3.34212  Sterimol/B2: 3.77864  Sterimol/B3: 3.92272
  Sterimol/B4: 4.76104  Sterimol/L: 11.9782 
 
 Surface and Volume Properties
  Accessible surface: 398.095  Positive charged surface: 274.335  Negative charged surface: 123.76  Volume: 192.125
  Hydrophobic surface: 274.021  Hydrophilic surface: 124.074
 
 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: no related molecules available.