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NCID-ZINC05812275

 MMsINC code: MMs02501439
Type: Neutral
Formula: C8H16O5
SMILES:   O1C(CO)C(O)C(OC)CC1OC
InChI:   InChI=1/C8H16O5/c1-11-5-3-7(12-2)13-6(4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.5927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.211 g/mol  logS: 0.15528  SlogP: -0.884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27687  Sterimol/B1: 2.38882  Sterimol/B2: 3.24744  Sterimol/B3: 4.90891
  Sterimol/B4: 5.86739  Sterimol/L: 10.6961 
 
 Surface and Volume Properties
  Accessible surface: 387.365  Positive charged surface: 338.779  Negative charged surface: 48.5865  Volume: 181
  Hydrophobic surface: 289.414  Hydrophilic surface: 97.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.