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PUBCHEM-ZINC06036539

 MMsINC code: MMs03506405
Type: Neutral
Formula: C19H26N2
SMILES:   N(Cc1ccccc1)(Cc1ccccc1)CC(N(C)C)C
InChI:   InChI=1/C19H26N2/c1-17(20(2)3)14-21(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.4789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.431 g/mol  logS: -3.24933  SlogP: 4.1717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283961  Sterimol/B1: 2.72356  Sterimol/B2: 2.82295  Sterimol/B3: 5.10535
  Sterimol/B4: 8.20139  Sterimol/L: 12.6299 
 
 Surface and Volume Properties
  Accessible surface: 531.486  Positive charged surface: 370.905  Negative charged surface: 160.581  Volume: 316.5
  Hydrophobic surface: 502.61  Hydrophilic surface: 28.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03506406
PUBCHEM-ZINC06036539