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ACROSORGANICS-ZINC01586759

 MMsINC code: MMs00009585
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)C(OCCCC)=O)CCCC
InChI:   InChI=1/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -2.49528  SlogP: 1.673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0170308  Sterimol/B1: 2.37521  Sterimol/B2: 2.37545  Sterimol/B3: 2.94106
  Sterimol/B4: 3.74813  Sterimol/L: 18.2733 
 
 Surface and Volume Properties
  Accessible surface: 481.118  Positive charged surface: 347.657  Negative charged surface: 133.462  Volume: 208.625
  Hydrophobic surface: 338.55  Hydrophilic surface: 142.568
 
 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.