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PEAKDALE-ZINC01503063

 MMsINC code: MMs02613086
Type: Neutral
Formula: C15H24N2O4
SMILES:   OC(=O)CCCC(=O)N(C1CC1)C1CCN(CC1)C(=O)C
InChI:   InChI=1/C15H24N2O4/c1-11(18)16-9-7-13(8-10-16)17(12-5-6-12)14(19)3-2-4-15(20)21/h12-13H,2-10H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=39.2932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -0.79727  SlogP: 1.2432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101084  Sterimol/B1: 2.35936  Sterimol/B2: 2.68415  Sterimol/B3: 4.64969
  Sterimol/B4: 8.74217  Sterimol/L: 15.3242 
 
 Surface and Volume Properties
  Accessible surface: 551.939  Positive charged surface: 387.132  Negative charged surface: 164.806  Volume: 291.75
  Hydrophobic surface: 357.087  Hydrophilic surface: 194.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02613087
PEAKDALE-ZINC01503063