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NCID-ZINC01632437

 MMsINC code: MMs02276969
Type: Neutral
Formula: C19H26N2
SMILES:   N(C)(C)c1ccc(cc1)C(CC)c1ccc(N(C)C)cc1
InChI:   InChI=1/C19H26N2/c1-6-19(15-7-11-17(12-8-15)20(2)3)16-9-13-18(14-10-16)21(4)5/h7-14,19H,6H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.431 g/mol  logS: -4.38652  SlogP: 4.3605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136696  Sterimol/B1: 2.16597  Sterimol/B2: 2.67397  Sterimol/B3: 4.52164
  Sterimol/B4: 8.51947  Sterimol/L: 15.7846 
 
 Surface and Volume Properties
  Accessible surface: 572.011  Positive charged surface: 459.12  Negative charged surface: 112.891  Volume: 315.25
  Hydrophobic surface: 550.184  Hydrophilic surface: 21.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.