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ENAMINE-ZINC03487027

 MMsINC code: MMs01468970
Type: Neutral
Formula: C28H25N3O4
SMILES:   O(c1ccccc1NC(=O)CNc1ccc(cc1)C(=O)Nc1ccc(OC)cc1)c1ccccc1
InChI:   InChI=1/C28H25N3O4/c1-34-23-17-15-22(16-18-23)30-28(33)20-11-13-21(14-12-20)29-19-27(32)31-25-9-5-6-10-26(25)35-24-7-3-2-4-8-24/h2-18,29H,19H2,1H3,(H,30,33)(H,31,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.525 g/mol  logS: -6.98085  SlogP: 5.7904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139228  Sterimol/B1: 3.093  Sterimol/B2: 4.45112  Sterimol/B3: 4.79067
  Sterimol/B4: 6.39722  Sterimol/L: 25.9038 
 
 Surface and Volume Properties
  Accessible surface: 814.138  Positive charged surface: 500.836  Negative charged surface: 313.302  Volume: 449.5
  Hydrophobic surface: 708.184  Hydrophilic surface: 105.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.