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ACROSORGANICS-ZINC01758785

 MMsINC code: MMs00011877
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(=O)CCCCCC(OCC)=O)CC
InChI:   InChI=1/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.8098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -1.7439  SlogP: 2.0631  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0170645  Sterimol/B1: 2.37514  Sterimol/B2: 2.37527  Sterimol/B3: 2.50604
  Sterimol/B4: 3.42827  Sterimol/L: 19.4455 
 
 Surface and Volume Properties
  Accessible surface: 509.149  Positive charged surface: 388.459  Negative charged surface: 120.69  Volume: 227.875
  Hydrophobic surface: 382.474  Hydrophilic surface: 126.675
 
 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.