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MAYBRIDGE-ZINC00403289

 MMsINC code: MMs02147523
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(C)(C)C)C(=O)N1CC(CCC1)C(O)=O
InChI:   InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=12.2525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -1.02027  SlogP: 1.7181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100035  Sterimol/B1: 2.3081  Sterimol/B2: 3.41441  Sterimol/B3: 4.88651
  Sterimol/B4: 5.41976  Sterimol/L: 13.3646 
 
 Surface and Volume Properties
  Accessible surface: 454.162  Positive charged surface: 329.118  Negative charged surface: 125.044  Volume: 223.875
  Hydrophobic surface: 291.907  Hydrophilic surface: 162.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02147524
MAYBRIDGE-ZINC00403289