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ACROSORGANICS-ZINC04262208

 MMsINC code: MMs00017323
Type: Neutral
Formula: C12H25NO5
SMILES:   O1CCN(CCOCCOCCOCC1)COC
InChI:   InChI=1/C12H25NO5/c1-14-12-13-2-4-15-6-8-17-10-11-18-9-7-16-5-3-13/h2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.334 g/mol  logS: -0.05597  SlogP: -0.0277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113328  Sterimol/B1: 2.53949  Sterimol/B2: 4.17463  Sterimol/B3: 4.89261
  Sterimol/B4: 6.12531  Sterimol/L: 13.1832 
 
 Surface and Volume Properties
  Accessible surface: 477.978  Positive charged surface: 431.881  Negative charged surface: 46.0965  Volume: 265.625
  Hydrophobic surface: 419.593  Hydrophilic surface: 58.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.