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ACROSORGANICS-ZINC01531045

 MMsINC code: MMs00008967
Type: Ionized
Formula: C10H16O4-2
SMILES:   O=C([O-])CCCCCCCCC(=O)[O-]
InChI:   InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.36734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -2.33138  SlogP: -0.393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294815  Sterimol/B1: 2.3687  Sterimol/B2: 2.37049  Sterimol/B3: 2.93486
  Sterimol/B4: 3.78672  Sterimol/L: 17.1537 
 
 Surface and Volume Properties
  Accessible surface: 446.502  Positive charged surface: 278.929  Negative charged surface: 167.573  Volume: 202.375
  Hydrophobic surface: 251.403  Hydrophilic surface: 195.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs00008966
ACROSORGANICS-ZINC01531045