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ASINEX-ZINC06645104

 MMsINC code: MMs00441745
Type: Neutral
Formula: C13H20N2
SMILES:   N(Cc1ccccc1)C1CCN(CC1)C
InChI:   InChI=1/C13H20N2/c1-15-9-7-13(8-10-15)14-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.317 g/mol  logS: -1.57565  SlogP: 2.1368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513292  Sterimol/B1: 3.02787  Sterimol/B2: 3.34988  Sterimol/B3: 3.39034
  Sterimol/B4: 3.99582  Sterimol/L: 15.0881 
 
 Surface and Volume Properties
  Accessible surface: 455.482  Positive charged surface: 353.225  Negative charged surface: 102.257  Volume: 228.875
  Hydrophobic surface: 435.397  Hydrophilic surface: 20.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00441746
ASINEX-ZINC06645104