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FDA-ZINC03830874

 MMsINC code: MMs01726795
Type: Ionized
Formula: C6H11O6-
SMILES:   O1C(O)(CO)C([O-])C(O)C1CO
InChI:   InChI=1/C6H11O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-9,11H,1-2H2/q-1/t3-,4+,5+,6+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.6862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.148 g/mol  logS: 1.0032  SlogP: -2.7816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291248  Sterimol/B1: 2.85944  Sterimol/B2: 3.0867  Sterimol/B3: 3.76499
  Sterimol/B4: 4.98966  Sterimol/L: 9.28289 
 
 Surface and Volume Properties
  Accessible surface: 328.679  Positive charged surface: 211.636  Negative charged surface: 117.042  Volume: 146.25
  Hydrophobic surface: 148.584  Hydrophilic surface: 180.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 1  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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Parent related molecule:


MMs01726794
FDA-ZINC03830874