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ASINEX-ZINC04196450

 MMsINC code: MMs00317282
Type: Neutral
Formula: C13H22N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(OC)=O
InChI:   InChI=1/C13H22N2O5/c1-13(2,3)20-12(18)15-7-5-6-9(15)11(17)14-8-10(16)19-4/h9H,5-8H2,1-4H3,(H,14,17)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=55.4331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.328 g/mol  logS: -1.84869  SlogP: 0.6751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0658222  Sterimol/B1: 2.429  Sterimol/B2: 2.54473  Sterimol/B3: 4.31993
  Sterimol/B4: 8.27366  Sterimol/L: 16.2253 
 
 Surface and Volume Properties
  Accessible surface: 554.873  Positive charged surface: 420.282  Negative charged surface: 134.592  Volume: 275.875
  Hydrophobic surface: 405.455  Hydrophilic surface: 149.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.