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PUBCHEM-ZINC04981079

 MMsINC code: MMs03187614
Type: Neutral
Formula: C16H26N2
SMILES:   N(Cc1ccc(N(C)C)cc1)(C)C1CCCCC1
InChI:   InChI=1/C16H26N2/c1-17(2)15-11-9-14(10-12-15)13-18(3)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.398 g/mol  logS: -2.65488  SlogP: 3.7835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567914  Sterimol/B1: 2.32681  Sterimol/B2: 2.60058  Sterimol/B3: 4.20677
  Sterimol/B4: 5.49063  Sterimol/L: 16.0104 
 
 Surface and Volume Properties
  Accessible surface: 508.634  Positive charged surface: 422.311  Negative charged surface: 86.3233  Volume: 279
  Hydrophobic surface: 502.816  Hydrophilic surface: 5.818
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03187615
PUBCHEM-ZINC04981079