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CHEMBRIDGE-ZINC02852138

 MMsINC code: MMs00727053
Type: Neutral
Formula: C12H25NO2
SMILES:   O(CC(NC(=O)C(CCCC)CC)C)C
InChI:   InChI=1/C12H25NO2/c1-5-7-8-11(6-2)12(14)13-10(3)9-15-4/h10-11H,5-9H2,1-4H3,(H,13,14)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=24.1692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.337 g/mol  logS: -2.70474  SlogP: 2.3539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0638495  Sterimol/B1: 2.53366  Sterimol/B2: 2.79419  Sterimol/B3: 3.56275
  Sterimol/B4: 7.96006  Sterimol/L: 15.0058 
 
 Surface and Volume Properties
  Accessible surface: 504.684  Positive charged surface: 409.039  Negative charged surface: 95.6447  Volume: 245.125
  Hydrophobic surface: 414.483  Hydrophilic surface: 90.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.