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OAKWOOD-ZINC02572711

 MMsINC code: MMs02546448
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.03273 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: 0.164401  Sterimol/B1: 2.40271  Sterimol/B2: 2.53333  Sterimol/B3: 4.65621
  Sterimol/B4: 7.45975  Sterimol/L: 11.6415 
 
 Surface and Volume Properties
  Accessible surface: 466.152  Positive charged surface: 299.151  Negative charged surface: 167.001  Volume: 235.25
  Hydrophobic surface: 269.572  Hydrophilic surface: 196.58
 
 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:


MMs02546447
OAKWOOD-ZINC02572711