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ANALYTICONDISCOVERY-ZINC04270765

 MMsINC code: MMs00035115
Type: Neutral
Formula: C14H23N3O6
SMILES:   O1CCN(CC1)C(=O)N1CC(N(CC1)C(=O)COC)C(OC)=O
InChI:   InChI=1/C14H23N3O6/c1-21-10-12(18)17-4-3-16(9-11(17)13(19)22-2)14(20)15-5-7-23-8-6-15/h11H,3-10H2,1-2H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=179.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.353 g/mol  logS: -0.45006  SlogP: -1.2292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656428  Sterimol/B1: 3.28318  Sterimol/B2: 3.54285  Sterimol/B3: 3.74584
  Sterimol/B4: 7.69082  Sterimol/L: 16.6393 
 
 Surface and Volume Properties
  Accessible surface: 558.877  Positive charged surface: 479.843  Negative charged surface: 79.0347  Volume: 297.75
  Hydrophobic surface: 459.049  Hydrophilic surface: 99.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.