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CHEMBRIDGE-ZINC00756983

 MMsINC code: MMs00643963
Type: Neutral
Formula: C16H26N2
SMILES:   N(CCc1ccccc1)(C)C1CCN(CC1)CC
InChI:   InChI=1/C16H26N2/c1-3-18-13-10-16(11-14-18)17(2)12-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.398 g/mol  logS: -2.09528  SlogP: 2.64517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544515  Sterimol/B1: 2.50697  Sterimol/B2: 3.17481  Sterimol/B3: 3.50479
  Sterimol/B4: 6.80125  Sterimol/L: 15.9836 
 
 Surface and Volume Properties
  Accessible surface: 525.385  Positive charged surface: 402.291  Negative charged surface: 123.094  Volume: 278.625
  Hydrophobic surface: 500.724  Hydrophilic surface: 24.661
 
 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


MMs00643964
CHEMBRIDGE-ZINC00756983