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PUBCHEM-ZINC00238717

 MMsINC code: MMs02643975
Type: Neutral
Formula: C17H28N2
SMILES:   N(Cc1ccc(cc1)C(C)C)(C)C1CCN(CC1)C
InChI:   InChI=1/C17H28N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5-8,14,17H,9-13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.425 g/mol  logS: -3.21096  SlogP: 3.6024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633676  Sterimol/B1: 2.74912  Sterimol/B2: 3.10433  Sterimol/B3: 4.16409
  Sterimol/B4: 5.16583  Sterimol/L: 16.9885 
 
 Surface and Volume Properties
  Accessible surface: 543  Positive charged surface: 440.357  Negative charged surface: 102.643  Volume: 297.25
  Hydrophobic surface: 490.971  Hydrophilic surface: 52.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02643976
PUBCHEM-ZINC00238717