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ACROSORGANICS-ZINC01591820

 MMsINC code: MMs00009678
Type: Neutral
Formula: C8H18O5
SMILES:   O(CCOCCO)CCOCCO
InChI:   InChI=1/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.227 g/mol  logS: 0.38662  SlogP: -0.9792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121194  Sterimol/B1: 2.23809  Sterimol/B2: 2.90939  Sterimol/B3: 3.9095
  Sterimol/B4: 5.42981  Sterimol/L: 13.6605 
 
 Surface and Volume Properties
  Accessible surface: 476.99  Positive charged surface: 424.898  Negative charged surface: 52.0921  Volume: 195.25
  Hydrophobic surface: 358.979  Hydrophilic surface: 118.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.