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PUBCHEM-ZINC04039452

 MMsINC code: MMs03088024
Type: Neutral
Formula: C24H29NO5
SMILES:   O(CCCCCC)c1ccc(cc1OC)\C=C\C(=O)Nc1ccccc1C(OC)=O
InChI:   InChI=1/C24H29NO5/c1-4-5-6-9-16-30-21-14-12-18(17-22(21)28-2)13-15-23(26)25-20-11-8-7-10-19(20)24(27)29-3/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,25,26)/b15-13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.498 g/mol  logS: -6.41782  SlogP: 5.0928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144819  Sterimol/B1: 2.80193  Sterimol/B2: 3.70206  Sterimol/B3: 4.60787
  Sterimol/B4: 9.76431  Sterimol/L: 23.5595 
 
 Surface and Volume Properties
  Accessible surface: 787.324  Positive charged surface: 564.361  Negative charged surface: 222.963  Volume: 414.375
  Hydrophobic surface: 684.106  Hydrophilic surface: 103.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.