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PUBCHEM-ZINC05422878

 MMsINC code: MMs03264917
Type: Neutral
Formula: C26H32N2
SMILES:   N(Cc1ccccc1)(CCCN(C)C)c1ccccc1CCc1ccccc1
InChI:   InChI=1/C26H32N2/c1-27(2)20-11-21-28(22-24-14-7-4-8-15-24)26-17-10-9-16-25(26)19-18-23-12-5-3-6-13-23/h3-10,12-17H,11,18-22H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.556 g/mol  logS: -5.3577  SlogP: 5.69644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.347427  Sterimol/B1: 4.45743  Sterimol/B2: 5.47387  Sterimol/B3: 6.31635
  Sterimol/B4: 8.04736  Sterimol/L: 13.8302 
 
 Surface and Volume Properties
  Accessible surface: 680.361  Positive charged surface: 474.099  Negative charged surface: 206.262  Volume: 414.875
  Hydrophobic surface: 669.776  Hydrophilic surface: 10.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03264918
PUBCHEM-ZINC05422878