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IFLAB-ZINC02457052

 MMsINC code: MMs01990192
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)CCCC(=O)N1CCN(CC1)CC(C)C
InChI:   InChI=1/C13H24N2O3/c1-11(2)10-14-6-8-15(9-7-14)12(16)4-3-5-13(17)18/h11H,3-10H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=36.6422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -0.39605  SlogP: 1.0415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541821  Sterimol/B1: 2.06848  Sterimol/B2: 3.13725  Sterimol/B3: 4.68516
  Sterimol/B4: 4.84914  Sterimol/L: 17.236 
 
 Surface and Volume Properties
  Accessible surface: 520.807  Positive charged surface: 397.517  Negative charged surface: 123.29  Volume: 263.125
  Hydrophobic surface: 348.291  Hydrophilic surface: 172.516
 
 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: no related molecules available.