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IBS-ZINC01845448

 MMsINC code: MMs01778824
Type: Neutral
Formula: C13H23NO4
SMILES:   O1CCN(CC1)C(=O)CCCOC(=O)CCCC
InChI:   InChI=1/C13H23NO4/c1-2-3-6-13(16)18-9-4-5-12(15)14-7-10-17-11-8-14/h2-11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -1.68003  SlogP: 1.3588  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0221736  Sterimol/B1: 3.06864  Sterimol/B2: 3.16299  Sterimol/B3: 3.61415
  Sterimol/B4: 4.28175  Sterimol/L: 19.2901 
 
 Surface and Volume Properties
  Accessible surface: 540.559  Positive charged surface: 435.432  Negative charged surface: 105.128  Volume: 263.875
  Hydrophobic surface: 436.288  Hydrophilic surface: 104.271
 
 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.