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CHEMBRIDGE-ZINC02464155

 MMsINC code: MMs00709562
Type: Neutral
Formula: C15H26N2
SMILES:   N(C(CCc1ccccc1)C)(CCN(C)C)C
InChI:   InChI=1/C15H26N2/c1-14(17(4)13-12-16(2)3)10-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.3544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -1.74467  SlogP: 2.50107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760783  Sterimol/B1: 2.32832  Sterimol/B2: 3.0636  Sterimol/B3: 3.83506
  Sterimol/B4: 6.63595  Sterimol/L: 16.1753 
 
 Surface and Volume Properties
  Accessible surface: 518.575  Positive charged surface: 400.985  Negative charged surface: 117.59  Volume: 275.75
  Hydrophobic surface: 495.891  Hydrophilic surface: 22.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00709563
CHEMBRIDGE-ZINC02464155