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ENAMINE-ZINC03221152

 MMsINC code: MMs01313430
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)CC(=O)N(C)c1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-27(21-15-9-4-10-16-21)23(28)18-31-25(30)22(17-19-11-5-2-6-12-19)26-24(29)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3,(H,26,29)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.65899  SlogP: 3.23387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352149  Sterimol/B1: 2.7555  Sterimol/B2: 3.14372  Sterimol/B3: 4.24195
  Sterimol/B4: 8.79372  Sterimol/L: 20.2819 
 
 Surface and Volume Properties
  Accessible surface: 716.981  Positive charged surface: 431.735  Negative charged surface: 285.245  Volume: 409.625
  Hydrophobic surface: 634.219  Hydrophilic surface: 82.762
 
 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.