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PUBCHEM-ZINC06425548

 MMsINC code: MMs03725053
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(N(C(=O)C(N(Cc1ccccc1)Cc1ccccc1)C)C)C
InChI:   InChI=1/C19H24N2O2/c1-16(19(22)20(2)23-3)21(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.67258  SlogP: 3.6299  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.287799  Sterimol/B1: 2.09037  Sterimol/B2: 3.68733  Sterimol/B3: 6.66821
  Sterimol/B4: 7.41765  Sterimol/L: 13.7817 
 
 Surface and Volume Properties
  Accessible surface: 569.691  Positive charged surface: 373.01  Negative charged surface: 196.681  Volume: 325.25
  Hydrophobic surface: 514.457  Hydrophilic surface: 55.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03725054
PUBCHEM-ZINC06425548