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BACHEM-ZINC00640286

 MMsINC code: MMs00482137
Type: Neutral
Formula: C26H21NO3
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.458 g/mol  logS: -7.37876  SlogP: 4.78647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724448  Sterimol/B1: 2.92298  Sterimol/B2: 4.17476  Sterimol/B3: 4.2968
  Sterimol/B4: 9.40651  Sterimol/L: 18.303 
 
 Surface and Volume Properties
  Accessible surface: 674.757  Positive charged surface: 367.686  Negative charged surface: 295.661  Volume: 390.5
  Hydrophobic surface: 627.228  Hydrophilic surface: 47.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.