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ACROSORGANICS-ZINC00389872

 MMsINC code: MMs00007241
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.015 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: 0.341143  Sterimol/B1: 3.30946  Sterimol/B2: 3.98596  Sterimol/B3: 4.30345
  Sterimol/B4: 5.51569  Sterimol/L: 9.67472 
 
 Surface and Volume Properties
  Accessible surface: 385.474  Positive charged surface: 343.253  Negative charged surface: 42.2212  Volume: 196.125
  Hydrophobic surface: 309.083  Hydrophilic surface: 76.391
 
 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.