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PUBCHEM-ZINC05591470

 MMsINC code: MMs03316022
Type: Neutral
Formula: C12H24N2O2
SMILES:   O1CCN(CC1)CCNC(=O)C(CCC)C
InChI:   InChI=1/C12H24N2O2/c1-3-4-11(2)12(15)13-5-6-14-7-9-16-10-8-14/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=45.1466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.39382  SlogP: 0.871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459281  Sterimol/B1: 2.70015  Sterimol/B2: 2.91942  Sterimol/B3: 3.90734
  Sterimol/B4: 4.12893  Sterimol/L: 16.9769 
 
 Surface and Volume Properties
  Accessible surface: 500.421  Positive charged surface: 411.962  Negative charged surface: 88.4583  Volume: 249.25
  Hydrophobic surface: 403.392  Hydrophilic surface: 97.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03316023
PUBCHEM-ZINC05591470