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IBS-ZINC03581241

 MMsINC code: MMs01870712
Type: Neutral
Formula: C6H10O6
SMILES:   O1C(CO)C(O)C(O)C(O)C1=O
InChI:   InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4-,5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.66261  SlogP: -3.0132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201553  Sterimol/B1: 3.00278  Sterimol/B2: 3.60282  Sterimol/B3: 3.64866
  Sterimol/B4: 4.24989  Sterimol/L: 10.3624 
 
 Surface and Volume Properties
  Accessible surface: 333.435  Positive charged surface: 232.634  Negative charged surface: 100.802  Volume: 143.5
  Hydrophobic surface: 102.528  Hydrophilic surface: 230.907
 
 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.