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ENAMINE-ZINC06461153

 MMsINC code: MMs01663551
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(CC(=O)NC(Cc1ccccc1)C(=O)C)c1ccccc1C(=O)Nc1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-18(28)22(16-19-10-4-2-5-11-19)27-24(29)17-31-23-15-9-8-14-21(23)25(30)26-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,30)(H,27,29)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.74 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.7459  SlogP: 3.63417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130527  Sterimol/B1: 2.64157  Sterimol/B2: 2.72143  Sterimol/B3: 8.06762
  Sterimol/B4: 10.2189  Sterimol/L: 17.0158 
 
 Surface and Volume Properties
  Accessible surface: 727.008  Positive charged surface: 416.014  Negative charged surface: 310.994  Volume: 407.125
  Hydrophobic surface: 635.034  Hydrophilic surface: 91.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.