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ENAMINE-ZINC05298340

 MMsINC code: MMs01607360
Type: Neutral
Formula: C18H30O4
SMILES:   O(CCOCCCC)c1ccccc1OCCOCCCC
InChI:   InChI=1/C18H30O4/c1-3-5-11-19-13-15-21-17-9-7-8-10-18(17)22-16-14-20-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.434 g/mol  logS: -3.85932  SlogP: 4.0776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156968  Sterimol/B1: 2.18456  Sterimol/B2: 2.50317  Sterimol/B3: 5.69622
  Sterimol/B4: 11.9791  Sterimol/L: 14.3535 
 
 Surface and Volume Properties
  Accessible surface: 696.623  Positive charged surface: 550.033  Negative charged surface: 146.591  Volume: 335.625
  Hydrophobic surface: 634.065  Hydrophilic surface: 62.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.