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ALFAAESAR-ZINC01644613

 MMsINC code: MMs00021595
Type: Neutral
Formula: C10H22O4
SMILES:   O(CCCC)CCOCCOCCO
InChI:   InChI=1/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.282 g/mol  logS: -0.86012  SlogP: 0.8286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.085095  Sterimol/B1: 2.7252  Sterimol/B2: 2.79431  Sterimol/B3: 4.24558
  Sterimol/B4: 6.17866  Sterimol/L: 15.615 
 
 Surface and Volume Properties
  Accessible surface: 518.279  Positive charged surface: 453.289  Negative charged surface: 64.9901  Volume: 220.875
  Hydrophobic surface: 430.344  Hydrophilic surface: 87.935
 
 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.