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NCID-ZINC01579265

 MMsINC code: MMs02237122
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)CCN(CC(OCC)=O)CC)CC
InChI:   InChI=1/C11H21NO4/c1-4-12(9-11(14)16-6-3)8-7-10(13)15-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.16832  SlogP: 0.8246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0476282  Sterimol/B1: 2.50359  Sterimol/B2: 2.54414  Sterimol/B3: 3.57443
  Sterimol/B4: 8.47769  Sterimol/L: 16.0557 
 
 Surface and Volume Properties
  Accessible surface: 519.262  Positive charged surface: 389.659  Negative charged surface: 129.603  Volume: 239.125
  Hydrophobic surface: 372.913  Hydrophilic surface: 146.349
 
 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


MMs02237123
NCID-ZINC01579265