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ENAMINE-ZINC06879716

 MMsINC code: MMs01708488
Type: Neutral
Formula: C25H23NO4
SMILES:   o1cc(c2c1cc(OC)cc2)CC(=O)NC(c1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C25H23NO4/c1-28-20-10-8-18(9-11-20)25(17-6-4-3-5-7-17)26-24(27)14-19-16-30-23-15-21(29-2)12-13-22(19)23/h3-13,15-16,25H,14H2,1-2H3,(H,26,27)/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -6.67437  SlogP: 4.99377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759687  Sterimol/B1: 2.22847  Sterimol/B2: 4.70966  Sterimol/B3: 5.51474
  Sterimol/B4: 7.61171  Sterimol/L: 20.3405 
 
 Surface and Volume Properties
  Accessible surface: 699.443  Positive charged surface: 454.023  Negative charged surface: 242.667  Volume: 394.25
  Hydrophobic surface: 640.391  Hydrophilic surface: 59.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.