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PUBCHEM-ZINC03638208

 MMsINC code: MMs03030365
Type: Neutral
Formula: C10H17NO3S
SMILES:   S1CC(=O)NC1CCCCCC(OC)=O
InChI:   InChI=1/C10H17NO3S/c1-14-10(13)6-4-2-3-5-9-11-8(12)7-15-9/h9H,2-7H2,1H3,(H,11,12)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=10.5866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.316 g/mol  logS: -2.19518  SlogP: 1.299  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0437636  Sterimol/B1: 3.13228  Sterimol/B2: 3.23391  Sterimol/B3: 3.30103
  Sterimol/B4: 3.68545  Sterimol/L: 16.9582 
 
 Surface and Volume Properties
  Accessible surface: 474.606  Positive charged surface: 345.599  Negative charged surface: 129.007  Volume: 221.75
  Hydrophobic surface: 311.798  Hydrophilic surface: 162.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.