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PUBCHEM-ZINC05819710

 MMsINC code: MMs03398815
Type: Ionized
Formula: C14H24NO3-
SMILES:   O=C([O-])C1CCCN(C1)C(=O)C(CCC)CCC
InChI:   InChI=1/C14H25NO3/c1-3-6-11(7-4-2)13(16)15-9-5-8-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=11.6622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.35 g/mol  logS: -2.69405  SlogP: 1.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113458  Sterimol/B1: 2.22321  Sterimol/B2: 2.79852  Sterimol/B3: 4.15912
  Sterimol/B4: 8.85196  Sterimol/L: 13.959 
 
 Surface and Volume Properties
  Accessible surface: 509.237  Positive charged surface: 354.059  Negative charged surface: 155.178  Volume: 266.375
  Hydrophobic surface: 358.979  Hydrophilic surface: 150.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03398814
PUBCHEM-ZINC05819710