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NCID-ZINC01674334

 MMsINC code: MMs02309950
Type: Neutral
Formula: C10H18O5
SMILES:   O(CCCCC(O)=O)CCCCC(O)=O
InChI:   InChI=1/C10H18O5/c11-9(12)5-1-3-7-15-8-4-2-6-10(13)14/h1-8H2,(H,11,12)(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.28602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -0.29578  SlogP: 1.5128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191524  Sterimol/B1: 2.37499  Sterimol/B2: 2.37581  Sterimol/B3: 2.84116
  Sterimol/B4: 3.04655  Sterimol/L: 18.9156 
 
 Surface and Volume Properties
  Accessible surface: 483.959  Positive charged surface: 351.257  Negative charged surface: 132.702  Volume: 212.625
  Hydrophobic surface: 280.474  Hydrophilic surface: 203.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02309951
NCID-ZINC01674334