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CHEMDIV-ZINC04141204

 MMsINC code: MMs00928839
Type: Neutral
Formula: C10H17NO2S
SMILES:   S1CCC(NC(=O)CC(C)(C)C)C1=O
InChI:   InChI=1/C10H17NO2S/c1-10(2,3)6-8(12)11-7-4-5-14-9(7)13/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=47.0094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.317 g/mol  logS: -3.2477  SlogP: 1.5709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102508  Sterimol/B1: 1.99425  Sterimol/B2: 2.62518  Sterimol/B3: 4.62316
  Sterimol/B4: 4.68279  Sterimol/L: 13.2695 
 
 Surface and Volume Properties
  Accessible surface: 423.36  Positive charged surface: 275.57  Negative charged surface: 147.79  Volume: 210.5
  Hydrophobic surface: 258.174  Hydrophilic surface: 165.186
 
 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.