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NCID-ZINC01871176

 MMsINC code: MMs02376308
Type: Neutral
Formula: C13H25NO3
SMILES:   O(C(C(=O)N(CCCC)CCCC)C)C(=O)C
InChI:   InChI=1/C13H25NO3/c1-5-7-9-14(10-8-6-2)13(16)11(3)17-12(4)15/h11H,5-10H2,1-4H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=26.4989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -2.48826  SlogP: 2.3668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121876  Sterimol/B1: 3.50555  Sterimol/B2: 3.59082  Sterimol/B3: 3.75111
  Sterimol/B4: 8.14906  Sterimol/L: 14.7929 
 
 Surface and Volume Properties
  Accessible surface: 536.399  Positive charged surface: 375.511  Negative charged surface: 160.888  Volume: 265.5
  Hydrophobic surface: 406.09  Hydrophilic surface: 130.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.