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CHEMBRIDGE-ZINC04842540

 MMsINC code: MMs00799859
Type: Neutral
Formula: C26H26N2O3
SMILES:   O(C(=O)C)c1cc(ccc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H26N2O3/c1-20(29)31-24-14-8-13-23(19-24)26(30)28-17-15-27(16-18-28)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -5.36107  SlogP: 4.2548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111083  Sterimol/B1: 2.28644  Sterimol/B2: 4.85039  Sterimol/B3: 6.32171
  Sterimol/B4: 6.62613  Sterimol/L: 19.0611 
 
 Surface and Volume Properties
  Accessible surface: 709.262  Positive charged surface: 434.432  Negative charged surface: 274.829  Volume: 410.125
  Hydrophobic surface: 634.065  Hydrophilic surface: 75.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00799860
CHEMBRIDGE-ZINC04842540