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ACROSORGANICS-ZINC01580161

 MMsINC code: MMs00009497
Type: Neutral
Formula: C9H20O5
SMILES:   O(CCOCCOC)CCOCCO
InChI:   InChI=1/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.254 g/mol  logS: 0.04144  SlogP: -0.3251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123998  Sterimol/B1: 2.43226  Sterimol/B2: 2.69946  Sterimol/B3: 4.85753
  Sterimol/B4: 5.86378  Sterimol/L: 15.1122 
 
 Surface and Volume Properties
  Accessible surface: 511.118  Positive charged surface: 471.379  Negative charged surface: 39.739  Volume: 215
  Hydrophobic surface: 438.147  Hydrophilic surface: 72.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.