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NCID-ZINC01693395

 MMsINC code: MMs02324878
Type: Neutral
Formula: C8H14O5
SMILES:   O(C(=O)C)CCOCCOC(=O)C
InChI:   InChI=1/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.7174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.195 g/mol  logS: -0.56424  SlogP: 0.1292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113739  Sterimol/B1: 2.45409  Sterimol/B2: 2.5443  Sterimol/B3: 4.09423
  Sterimol/B4: 5.48736  Sterimol/L: 13.5267 
 
 Surface and Volume Properties
  Accessible surface: 445.946  Positive charged surface: 322.368  Negative charged surface: 123.578  Volume: 183.125
  Hydrophobic surface: 348.763  Hydrophilic surface: 97.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.