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CHEMBRIDGE-ZINC04989344

 MMsINC code: MMs00821503
Type: Neutral
Formula: C16H28N2
SMILES:   N(CCN(Cc1ccc(cc1)CC)C)(CC)CC
InChI:   InChI=1/C16H28N2/c1-5-15-8-10-16(11-9-15)14-17(4)12-13-18(6-2)7-3/h8-11H,5-7,12-14H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.414 g/mol  logS: -2.79778  SlogP: 3.28897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508757  Sterimol/B1: 3.37392  Sterimol/B2: 3.68493  Sterimol/B3: 4.06805
  Sterimol/B4: 4.56267  Sterimol/L: 17.3276 
 
 Surface and Volume Properties
  Accessible surface: 558.194  Positive charged surface: 425.634  Negative charged surface: 132.56  Volume: 293.375
  Hydrophobic surface: 480.682  Hydrophilic surface: 77.512
 
 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


MMs00821504
CHEMBRIDGE-ZINC04989344