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ACROSORGANICS-ZINC04262210

 MMsINC code: MMs00017325
Type: Neutral
Formula: C14H30N2O5
SMILES:   O1CCN(CCOCCOCCN(CC1)COC)COC
InChI:   InChI=1/C14H30N2O5/c1-17-13-15-3-7-19-8-4-16(14-18-2)6-10-21-12-11-20-9-5-15/h3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.403 g/mol  logS: 0.34064  SlogP: -0.1384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173943  Sterimol/B1: 2.95724  Sterimol/B2: 4.69491  Sterimol/B3: 5.23521
  Sterimol/B4: 6.0703  Sterimol/L: 13.9791 
 
 Surface and Volume Properties
  Accessible surface: 534.701  Positive charged surface: 496.703  Negative charged surface: 37.9972  Volume: 309.5
  Hydrophobic surface: 484.607  Hydrophilic surface: 50.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.