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PUBCHEM-ZINC05829943

 MMsINC code: MMs03404867
Type: Ionized
Formula: C6H11O7-
SMILES:   O1C(CO)C(O)C(O)C([O-])C1(O)O
InChI:   InChI=1/C6H11O7/c7-1-2-3(8)4(9)5(10)6(11,12)13-2/h2-5,7-9,11-12H,1H2/q-1/t2-,3-,4+,5+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.310086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.147 g/mol  logS: 1.14978  SlogP: -3.4632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22202  Sterimol/B1: 3.21929  Sterimol/B2: 3.45468  Sterimol/B3: 4.2242
  Sterimol/B4: 4.37478  Sterimol/L: 9.27011 
 
 Surface and Volume Properties
  Accessible surface: 333.795  Positive charged surface: 201.179  Negative charged surface: 132.616  Volume: 150.625
  Hydrophobic surface: 107.879  Hydrophilic surface: 225.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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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MMs03404866
PUBCHEM-ZINC05829943