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ASINEX-ZINC03159349

 MMsINC code: MMs00287359
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCC
InChI:   InChI=1/C13H26N2O3/c1-7-14-11(16)10(8-9(2)3)15-12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)(H,15,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=43.0622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.88076  SlogP: 2.0619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922504  Sterimol/B1: 3.01271  Sterimol/B2: 3.18375  Sterimol/B3: 3.79888
  Sterimol/B4: 6.4814  Sterimol/L: 15.5407 
 
 Surface and Volume Properties
  Accessible surface: 527.073  Positive charged surface: 383.534  Negative charged surface: 143.539  Volume: 272.25
  Hydrophobic surface: 347.947  Hydrophilic surface: 179.126
 
 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.