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CHEMBRIDGE-ZINC02869730

 MMsINC code: MMs00730049
Type: Neutral
Formula: C26H19NO3
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1-c1ccccc1
InChI:   InChI=1/C26H19NO3/c28-25(27-24-17-9-8-12-19(24)18-10-2-1-3-11-18)22-15-6-4-13-20(22)21-14-5-7-16-23(21)26(29)30/h1-17H,(H,27,28)(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.442 g/mol  logS: -8.17703  SlogP: 5.9711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133704  Sterimol/B1: 3.97334  Sterimol/B2: 4.19215  Sterimol/B3: 5.45898
  Sterimol/B4: 8.42087  Sterimol/L: 14.8815 
 
 Surface and Volume Properties
  Accessible surface: 639.636  Positive charged surface: 349.522  Negative charged surface: 284.794  Volume: 380.375
  Hydrophobic surface: 563.715  Hydrophilic surface: 75.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00730050
CHEMBRIDGE-ZINC02869730