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SIAL-ZINC04789666

 MMsINC code: MMs03925387
Type: Ionized
Formula: C15H27O4-
SMILES:   O(C(=O)CCCCCCCCCCCCC(=O)[O-])C
InChI:   InChI=1/C15H28O4/c1-19-15(18)13-11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-13H2,1H3,(H,16,17)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.90847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.377 g/mol  logS: -4.54414  SlogP: 2.5905  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0130822  Sterimol/B1: 2.38383  Sterimol/B2: 2.39948  Sterimol/B3: 3.1158
  Sterimol/B4: 3.43845  Sterimol/L: 23.9285 
 
 Surface and Volume Properties
  Accessible surface: 612.915  Positive charged surface: 464.591  Negative charged surface: 148.324  Volume: 294.5
  Hydrophobic surface: 471.19  Hydrophilic surface: 141.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03925386
SIAL-ZINC04789666