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BACHEM-ZINC02575481

 MMsINC code: MMs00484515
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(C)(C)C)C(=O)NCCCCCC(O)=O
InChI:   InChI=1/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

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Potential Energy
Epot(MMFF94)=3.581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.30463  SlogP: 2.1561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381523  Sterimol/B1: 2.26082  Sterimol/B2: 2.37472  Sterimol/B3: 4.05236
  Sterimol/B4: 4.87451  Sterimol/L: 17.8827 
 
 Surface and Volume Properties
  Accessible surface: 503.687  Positive charged surface: 360.973  Negative charged surface: 142.715  Volume: 235.375
  Hydrophobic surface: 299.277  Hydrophilic surface: 204.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00484516
BACHEM-ZINC02575481