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ACROSORGANICS-ZINC03860329

 MMsINC code: MMs00015360
Type: Neutral
Formula: C6H12O5
SMILES:   O1C(CO)C(O)C(O)CC1O
InChI:   InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5-,6+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.157 g/mol  logS: 0.84564  SlogP: -2.1922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13261  Sterimol/B1: 2.57376  Sterimol/B2: 3.15653  Sterimol/B3: 4.37076
  Sterimol/B4: 4.95378  Sterimol/L: 9.9793 
 
 Surface and Volume Properties
  Accessible surface: 341.278  Positive charged surface: 257.396  Negative charged surface: 83.8818  Volume: 143.875
  Hydrophobic surface: 137.528  Hydrophilic surface: 203.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.