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NCID-ZINC05889586

 MMsINC code: MMs02510422
Type: Neutral
Formula: C11H20O5
SMILES:   O1C(COC)C(OC12CCCC2O)COC
InChI:   InChI=1/C11H20O5/c1-13-6-8-9(7-14-2)16-11(15-8)5-3-4-10(11)12/h8-10,12H,3-7H2,1-2H3/t8-,9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.2589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.276 g/mol  logS: -0.91751  SlogP: 0.3043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167344  Sterimol/B1: 3.76589  Sterimol/B2: 3.9496  Sterimol/B3: 4.06531
  Sterimol/B4: 6.83911  Sterimol/L: 12.0387 
 
 Surface and Volume Properties
  Accessible surface: 467.297  Positive charged surface: 400.458  Negative charged surface: 66.839  Volume: 227
  Hydrophobic surface: 396.764  Hydrophilic surface: 70.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.