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ACROSORGANICS-ZINC00389871

 MMsINC code: MMs00007240
Type: Neutral
Formula: C9H18O5
SMILES:   O1CCOCCOCCOCC1CO
InChI:   InChI=1/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.238 g/mol  logS: -0.1074  SlogP: -0.5727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127548  Sterimol/B1: 2.39995  Sterimol/B2: 3.60603  Sterimol/B3: 4.7363
  Sterimol/B4: 5.25301  Sterimol/L: 11.7117 
 
 Surface and Volume Properties
  Accessible surface: 399.294  Positive charged surface: 354.093  Negative charged surface: 45.2016  Volume: 199.75
  Hydrophobic surface: 321.106  Hydrophilic surface: 78.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.