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OAKWOOD-ZINC02578581

 MMsINC code: MMs02546876
Type: Ionized
Formula: C11H20NO4-
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)CC(=O)[O-]
InChI:   InChI=1/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.241019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.284 g/mol  logS: -1.69052  SlogP: 0.6757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110599  Sterimol/B1: 2.38093  Sterimol/B2: 3.51301  Sterimol/B3: 3.66693
  Sterimol/B4: 7.55755  Sterimol/L: 12.6277 
 
 Surface and Volume Properties
  Accessible surface: 469.706  Positive charged surface: 301.55  Negative charged surface: 168.156  Volume: 234.25
  Hydrophobic surface: 271.019  Hydrophilic surface: 198.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02546875
OAKWOOD-ZINC02578581