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NCID-ZINC01648174

 MMsINC code: MMs02288439
Type: Neutral
Formula: C6H14O5
SMILES:   O(CC(O)CO)CC(O)CO
InChI:   InChI=1/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2/t5-,6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.173 g/mol  logS: 1.07698  SlogP: -2.2906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675826  Sterimol/B1: 2.21714  Sterimol/B2: 3.09918  Sterimol/B3: 3.35059
  Sterimol/B4: 3.46426  Sterimol/L: 13.9287 
 
 Surface and Volume Properties
  Accessible surface: 384.519  Positive charged surface: 300.266  Negative charged surface: 84.2539  Volume: 157.375
  Hydrophobic surface: 182.036  Hydrophilic surface: 202.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.