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NCID-ZINC05573128

 MMsINC code: MMs02476623
Type: Neutral
Formula: C10H16O7
SMILES:   O1CCOCCOCCOC(=O)COCC1=O
InChI:   InChI=1/C10H16O7/c11-9-7-15-8-10(12)17-6-4-14-2-1-13-3-5-16-9/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.6078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.231 g/mol  logS: -0.98364  SlogP: -0.8638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151246  Sterimol/B1: 2.56862  Sterimol/B2: 2.64176  Sterimol/B3: 3.63033
  Sterimol/B4: 7.27835  Sterimol/L: 11.2391 
 
 Surface and Volume Properties
  Accessible surface: 412.527  Positive charged surface: 339.581  Negative charged surface: 72.9466  Volume: 220.5
  Hydrophobic surface: 325.331  Hydrophilic surface: 87.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.