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OAKWOOD-ZINC01433133

 MMsINC code: MMs02543191
Type: Ionized
Formula: C13H22NO4-
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)CCC(=O)[O-]
InChI:   InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=7.87556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.322 g/mol  logS: -1.68426  SlogP: 1.1636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819824  Sterimol/B1: 2.02722  Sterimol/B2: 3.81781  Sterimol/B3: 4.58795
  Sterimol/B4: 5.28982  Sterimol/L: 15.5388 
 
 Surface and Volume Properties
  Accessible surface: 499.665  Positive charged surface: 358.195  Negative charged surface: 141.47  Volume: 257.875
  Hydrophobic surface: 340.584  Hydrophilic surface: 159.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02543190
OAKWOOD-ZINC01433133