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NCID-ZINC01732465

 MMsINC code: MMs02355203
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-/m1/s1

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Potential Energy
Epot(MMFF94)=30.6371 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: 0.139222  Sterimol/B1: 3.34154  Sterimol/B2: 3.78132  Sterimol/B3: 3.91795
  Sterimol/B4: 4.76148  Sterimol/L: 11.9796 
 
 Surface and Volume Properties
  Accessible surface: 397.185  Positive charged surface: 274.374  Negative charged surface: 122.812  Volume: 192.25
  Hydrophobic surface: 274.047  Hydrophilic surface: 123.138
 
 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.