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PUBCHEM-ZINC05114454

 MMsINC code: MMs03202583
Type: Neutral
Formula: C15H26N2
SMILES:   N(C(C)C)(C(C)C)c1ccc(NC(C)C)cc1
InChI:   InChI=1/C15H26N2/c1-11(2)16-14-7-9-15(10-8-14)17(12(3)4)13(5)6/h7-13,16H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -3.07201  SlogP: 4.1301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101952  Sterimol/B1: 2.93248  Sterimol/B2: 4.1907  Sterimol/B3: 4.43009
  Sterimol/B4: 4.63796  Sterimol/L: 13.5796 
 
 Surface and Volume Properties
  Accessible surface: 503.584  Positive charged surface: 341.337  Negative charged surface: 162.248  Volume: 270.875
  Hydrophobic surface: 370.926  Hydrophilic surface: 132.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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: no related molecules available.