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NCID-ZINC01698399

 MMsINC code: MMs02328708
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(OCC)C(=O)N1CCCCC1)CC
InChI:   InChI=1/C11H21NO3/c1-3-14-11(15-4-2)10(13)12-8-6-5-7-9-12/h11H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.9879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.2317  SlogP: 1.398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848324  Sterimol/B1: 2.15521  Sterimol/B2: 2.78483  Sterimol/B3: 3.85615
  Sterimol/B4: 7.35092  Sterimol/L: 13.0239 
 
 Surface and Volume Properties
  Accessible surface: 457.419  Positive charged surface: 350.097  Negative charged surface: 107.322  Volume: 225
  Hydrophobic surface: 365.601  Hydrophilic surface: 91.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.