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ASINEX-ZINC03157295

 MMsINC code: MMs00287253
Type: Neutral
Formula: C14H28N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C
InChI:   InChI=1/C14H28N2O3/c1-9(2)8-11(12(17)15-10(3)4)16-13(18)19-14(5,6)7/h9-11H,8H2,1-7H3,(H,15,17)(H,16,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=38.9562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -3.20797  SlogP: 2.4504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871575  Sterimol/B1: 1.9742  Sterimol/B2: 3.36328  Sterimol/B3: 4.86354
  Sterimol/B4: 7.39839  Sterimol/L: 15.4324 
 
 Surface and Volume Properties
  Accessible surface: 559.302  Positive charged surface: 392.358  Negative charged surface: 166.944  Volume: 291.375
  Hydrophobic surface: 367.359  Hydrophilic surface: 191.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.