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PUBCHEM-ZINC06042591

 MMsINC code: MMs03509332
Type: Neutral
Formula: C12H23NO3
SMILES:   OC(=O)CCC(=O)N(CCCC)CCCC
InChI:   InChI=1/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=-2.65954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.32 g/mol  logS: -1.5052  SlogP: 2.28  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824745  Sterimol/B1: 2.42904  Sterimol/B2: 3.80055  Sterimol/B3: 5.15253
  Sterimol/B4: 6.99083  Sterimol/L: 14.1414 
 
 Surface and Volume Properties
  Accessible surface: 506.627  Positive charged surface: 368.907  Negative charged surface: 137.719  Volume: 245.75
  Hydrophobic surface: 336.827  Hydrophilic surface: 169.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03509333
PUBCHEM-ZINC06042591