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ACROSORGANICS-ZINC00388650

 MMsINC code: MMs00007093
Type: Neutral
Formula: C6H14O3
SMILES:   O(CC(O)C)CC(O)C
InChI:   InChI=1/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.175 g/mol  logS: 0.01748  SlogP: -0.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179098  Sterimol/B1: 2.03797  Sterimol/B2: 2.64057  Sterimol/B3: 3.65643
  Sterimol/B4: 4.73646  Sterimol/L: 9.61711 
 
 Surface and Volume Properties
  Accessible surface: 342.847  Positive charged surface: 266.286  Negative charged surface: 76.5603  Volume: 142.25
  Hydrophobic surface: 205.389  Hydrophilic surface: 137.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.