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NCID-ZINC01678948

 MMsINC code: MMs02313580
Type: Neutral
Formula: C15H28O4
SMILES:   O(C(=O)C(CCCCCC)(CC)C(OCC)=O)CC
InChI:   InChI=1/C15H28O4/c1-5-9-10-11-12-15(6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.3534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.385 g/mol  logS: -4.43808  SlogP: 3.4794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824063  Sterimol/B1: 3.67298  Sterimol/B2: 3.67695  Sterimol/B3: 5.10762
  Sterimol/B4: 6.90214  Sterimol/L: 17.0737 
 
 Surface and Volume Properties
  Accessible surface: 586.45  Positive charged surface: 432.928  Negative charged surface: 153.522  Volume: 293.125
  Hydrophobic surface: 453.686  Hydrophilic surface: 132.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.