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PUBCHEM-ZINC02522814

 MMsINC code: MMs02893376
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCC)CCOC(=O)CCC
InChI:   InChI=1/C10H18O4/c1-3-5-9(11)13-7-8-14-10(12)6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.85558  SlogP: 1.673  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.031777  Sterimol/B1: 2.41188  Sterimol/B2: 2.68523  Sterimol/B3: 3.06778
  Sterimol/B4: 5.99954  Sterimol/L: 16.4579 
 
 Surface and Volume Properties
  Accessible surface: 482.195  Positive charged surface: 362.78  Negative charged surface: 119.415  Volume: 209.625
  Hydrophobic surface: 359.211  Hydrophilic surface: 122.984
 
 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.