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ALFAAESAR-ZINC01690088

 MMsINC code: MMs00021878
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCCCCCCC(O)=O)C
InChI:   InChI=1/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.1586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.70759  SlogP: 1.9747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0223967  Sterimol/B1: 2.37511  Sterimol/B2: 2.37544  Sterimol/B3: 3.07051
  Sterimol/B4: 3.18568  Sterimol/L: 17.9869 
 
 Surface and Volume Properties
  Accessible surface: 463.046  Positive charged surface: 357.337  Negative charged surface: 105.708  Volume: 204.75
  Hydrophobic surface: 319.965  Hydrophilic surface: 143.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00021879
ALFAAESAR-ZINC01690088