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NCID-ZINC05732452

 MMsINC code: MMs02491517
Type: Neutral
Formula: C8H14O5
SMILES:   O1COC2C(OCOC2)C1C(O)C
InChI:   InChI=1/C8H14O5/c1-5(9)7-8-6(11-4-13-7)2-10-3-12-8/h5-9H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.195 g/mol  logS: 0.00555  SlogP: -0.5184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158727  Sterimol/B1: 2.83098  Sterimol/B2: 3.3593  Sterimol/B3: 3.8981
  Sterimol/B4: 4.42259  Sterimol/L: 10.7783 
 
 Surface and Volume Properties
  Accessible surface: 365.291  Positive charged surface: 308.654  Negative charged surface: 56.637  Volume: 169.75
  Hydrophobic surface: 235.82  Hydrophilic surface: 129.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.