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NCID-ZINC01751843

 MMsINC code: MMs02362395
Type: Neutral
Formula: C10H17NO2S
SMILES:   S1C(C)(C)C(=O)NC(=O)C1CCCC
InChI:   InChI=1/C10H17NO2S/c1-4-5-6-7-8(12)11-9(13)10(2,3)14-7/h7H,4-6H2,1-3H3,(H,11,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=37.7871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.317 g/mol  logS: -3.50498  SlogP: 1.7134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954276  Sterimol/B1: 2.9332  Sterimol/B2: 3.45409  Sterimol/B3: 3.53307
  Sterimol/B4: 5.87125  Sterimol/L: 13.0042 
 
 Surface and Volume Properties
  Accessible surface: 422.545  Positive charged surface: 274.88  Negative charged surface: 147.665  Volume: 209.25
  Hydrophobic surface: 245.352  Hydrophilic surface: 177.193
 
 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.