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CHEMBLOCK-ZINC04143695

 MMsINC code: MMs00543676
Type: Neutral
Formula: C9H16O5
SMILES:   O1C2COC1C(OC)C(OC)C2OC
InChI:   InChI=1/C9H16O5/c1-10-6-5-4-13-9(14-5)8(12-3)7(6)11-2/h5-9H,4H2,1-3H3/t5-,6-,7+,8+,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.222 g/mol  logS: -0.48215  SlogP: -0.2135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.366376  Sterimol/B1: 2.38499  Sterimol/B2: 2.68202  Sterimol/B3: 5.4862
  Sterimol/B4: 5.67429  Sterimol/L: 11.0381 
 
 Surface and Volume Properties
  Accessible surface: 394.355  Positive charged surface: 362.94  Negative charged surface: 31.4156  Volume: 189.125
  Hydrophobic surface: 348.78  Hydrophilic surface: 45.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.