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NCID-ZINC01694842

 MMsINC code: MMs02325968
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(C)C)C(=O)CCC(=O)N(CCC)CCC
InChI:   InChI=1/C13H25NO3/c1-5-9-14(10-6-2)12(15)7-8-13(16)17-11(3)4/h11H,5-10H2,1-4H3

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Potential Energy
Epot(MMFF94)=9.05356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -1.54151  SlogP: 2.3668  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0465057  Sterimol/B1: 2.30293  Sterimol/B2: 2.6045  Sterimol/B3: 3.45728
  Sterimol/B4: 8.09755  Sterimol/L: 16.0704 
 
 Surface and Volume Properties
  Accessible surface: 539.199  Positive charged surface: 393.263  Negative charged surface: 145.936  Volume: 266.5
  Hydrophobic surface: 396.077  Hydrophilic surface: 143.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.