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PUBCHEM-ZINC05711986

 MMsINC code: MMs03355565
Type: Neutral
Formula: C25H29NO4
SMILES:   O(CC)c1c(OCC)cc(cc1OCC)C(=O)n1c2CCCCc2c2c1cccc2
InChI:   InChI=1/C25H29NO4/c1-4-28-22-15-17(16-23(29-5-2)24(22)30-6-3)25(27)26-20-13-9-7-11-18(20)19-12-8-10-14-21(19)26/h7,9,11,13,15-16H,4-6,8,10,12,14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.51 g/mol  logS: -5.94558  SlogP: 5.40464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106881  Sterimol/B1: 2.52371  Sterimol/B2: 3.61122  Sterimol/B3: 5.02908
  Sterimol/B4: 11.1348  Sterimol/L: 17.3548 
 
 Surface and Volume Properties
  Accessible surface: 708.922  Positive charged surface: 503.987  Negative charged surface: 199.754  Volume: 405.875
  Hydrophobic surface: 595.74  Hydrophilic surface: 113.182
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.