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CHEMBRIDGE-ZINC01117275

 MMsINC code: MMs00663615
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC(=O)Nc1ccc(cc1)C(=O)NC(CCc1ccccc1)C)c1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-19(12-13-20-8-4-2-5-9-20)26-25(29)21-14-16-22(17-15-21)27-24(28)18-30-23-10-6-3-7-11-23/h2-11,14-17,19H,12-13,18H2,1H3,(H,26,29)(H,27,28)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.93617  SlogP: 4.45517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0162313  Sterimol/B1: 2.21646  Sterimol/B2: 2.47991  Sterimol/B3: 4.37465
  Sterimol/B4: 8.62437  Sterimol/L: 24.218 
 
 Surface and Volume Properties
  Accessible surface: 751.695  Positive charged surface: 439.371  Negative charged surface: 312.324  Volume: 407.125
  Hydrophobic surface: 644.268  Hydrophilic surface: 107.427
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.