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PUBCHEM-ZINC05821454

 MMsINC code: MMs03400498
Type: Neutral
Formula: C9H20O4
SMILES:   O(CCCC)CCOCCOCO
InChI:   InChI=1/C9H20O4/c1-2-3-4-11-5-6-12-7-8-13-9-10/h10H,2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.255 g/mol  logS: -0.56562  SlogP: 0.7861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624931  Sterimol/B1: 2.72553  Sterimol/B2: 3.41754  Sterimol/B3: 3.73428
  Sterimol/B4: 6.09674  Sterimol/L: 14.7083 
 
 Surface and Volume Properties
  Accessible surface: 483.469  Positive charged surface: 415.83  Negative charged surface: 67.6385  Volume: 204.625
  Hydrophobic surface: 373.452  Hydrophilic surface: 110.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.