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ALFAAESAR-ZINC01596061

 MMsINC code: MMs00021438
Type: Neutral
Formula: C10H22O3
SMILES:   O(CCCCCC)CCOCCO
InChI:   InChI=1/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.283 g/mol  logS: -1.74792  SlogP: 1.5922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407399  Sterimol/B1: 2.82117  Sterimol/B2: 2.84714  Sterimol/B3: 3.40753
  Sterimol/B4: 5.42255  Sterimol/L: 16.2382 
 
 Surface and Volume Properties
  Accessible surface: 493.436  Positive charged surface: 425.259  Negative charged surface: 68.1762  Volume: 215.125
  Hydrophobic surface: 409.518  Hydrophilic surface: 83.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.