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PUBCHEM-ZINC05140483

 MMsINC code: MMs03212234
Type: Neutral
Formula: C23H26N2
SMILES:   N(Cc1ccccc1)(CC(N(C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H26N2/c1-24(2)23(21-14-8-4-9-15-21)19-25(22-16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-17,23H,18-19H2,1-2H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.475 g/mol  logS: -4.74598  SlogP: 5.358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203993  Sterimol/B1: 2.54772  Sterimol/B2: 5.19442  Sterimol/B3: 6.13373
  Sterimol/B4: 7.28624  Sterimol/L: 14.7345 
 
 Surface and Volume Properties
  Accessible surface: 597.595  Positive charged surface: 377.289  Negative charged surface: 220.306  Volume: 357.875
  Hydrophobic surface: 589.827  Hydrophilic surface: 7.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03212235
PUBCHEM-ZINC05140483