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TYGER-ZINC04204275

 MMsINC code: MMs03950769
Type: Neutral
Formula: C7H14O5
SMILES:   O(C(OC)(OC)CC(OC)=O)C
InChI:   InChI=1/C7H14O5/c1-9-6(8)5-7(10-2,11-3)12-4/h5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.4076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.184 g/mol  logS: -0.42047  SlogP: 0.1425  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.303504  Sterimol/B1: 3.06617  Sterimol/B2: 3.80252  Sterimol/B3: 3.96013
  Sterimol/B4: 5.23464  Sterimol/L: 11.1375 
 
 Surface and Volume Properties
  Accessible surface: 383.849  Positive charged surface: 344.406  Negative charged surface: 39.4423  Volume: 170.875
  Hydrophobic surface: 341.611  Hydrophilic surface: 42.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.