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ACROSORGANICS-ZINC01577245

 MMsINC code: MMs00009438
Type: Neutral
Formula: C5H12O3
SMILES:   O(CCOC)CCO
InChI:   InChI=1/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.148 g/mol  logS: 0.32672  SlogP: -0.3583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869575  Sterimol/B1: 2.20385  Sterimol/B2: 2.50655  Sterimol/B3: 3.17628
  Sterimol/B4: 4.37065  Sterimol/L: 11.0237 
 
 Surface and Volume Properties
  Accessible surface: 335.903  Positive charged surface: 303.814  Negative charged surface: 32.0897  Volume: 124
  Hydrophobic surface: 270.725  Hydrophilic surface: 65.178
 
 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.