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ENAMINE-ZINC03346775

 MMsINC code: MMs01386850
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(Cc1ccccc1)c1ccc(NC(C(=O)Nc2ccc(cc2)C(=O)C)C)cc1
InChI:   InChI=1/C24H24N2O3/c1-17(24(28)26-22-10-8-20(9-11-22)18(2)27)25-21-12-14-23(15-13-21)29-16-19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3,(H,26,28)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.63553  SlogP: 5.1737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318369  Sterimol/B1: 1.969  Sterimol/B2: 4.06117  Sterimol/B3: 4.85202
  Sterimol/B4: 6.42876  Sterimol/L: 24.5102 
 
 Surface and Volume Properties
  Accessible surface: 715.799  Positive charged surface: 412.797  Negative charged surface: 303.002  Volume: 386.125
  Hydrophobic surface: 596.913  Hydrophilic surface: 118.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.