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CHEMBRIDGE-ZINC02464146

 MMsINC code: MMs00709556
Type: Neutral
Formula: C17H30N2
SMILES:   N(CCN(C(CCc1ccccc1)C)C)(CC)CC
InChI:   InChI=1/C17H30N2/c1-5-19(6-2)15-14-18(4)16(3)12-13-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.4986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.441 g/mol  logS: -2.39909  SlogP: 3.28127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077734  Sterimol/B1: 2.41981  Sterimol/B2: 2.95811  Sterimol/B3: 4.44987
  Sterimol/B4: 7.9007  Sterimol/L: 17.0043 
 
 Surface and Volume Properties
  Accessible surface: 576.859  Positive charged surface: 416.404  Negative charged surface: 160.455  Volume: 309
  Hydrophobic surface: 513.195  Hydrophilic surface: 63.664
 
 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


MMs00709557
CHEMBRIDGE-ZINC02464146