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IBS-ZINC02270870

 MMsINC code: MMs01820079
Type: Neutral
Formula: C11H19NO4
SMILES:   O1CCN(CC1)C(=O)CCCOC(=O)CC
InChI:   InChI=1/C11H19NO4/c1-2-11(14)16-7-3-4-10(13)12-5-8-15-9-6-12/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.64959  SlogP: 0.5786  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0317049  Sterimol/B1: 2.99092  Sterimol/B2: 3.22436  Sterimol/B3: 3.72265
  Sterimol/B4: 4.14229  Sterimol/L: 16.7996 
 
 Surface and Volume Properties
  Accessible surface: 480.601  Positive charged surface: 384.846  Negative charged surface: 95.755  Volume: 226.75
  Hydrophobic surface: 375.214  Hydrophilic surface: 105.387
 
 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.