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PUBCHEM-ZINC05975499

 MMsINC code: MMs03470999
Type: Neutral
Formula: C6H13NO5
SMILES:   OC1C(O)C(NC(O)C1O)CO
InChI:   InChI=1/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5+,6+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.172 g/mol  logS: 1.62565  SlogP: -3.6484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176063  Sterimol/B1: 2.98826  Sterimol/B2: 3.26338  Sterimol/B3: 4.28603
  Sterimol/B4: 5.01836  Sterimol/L: 9.87259 
 
 Surface and Volume Properties
  Accessible surface: 351.899  Positive charged surface: 271.643  Negative charged surface: 80.2557  Volume: 153
  Hydrophobic surface: 112.398  Hydrophilic surface: 239.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.