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PUBCHEM-ZINC01996705

 MMsINC code: MMs02839606
Type: Neutral
Formula: C18H20N2
SMILES:   n1(c2c(c3c1cccc3)cccc2)C1CCN(CC1)C
InChI:   InChI=1/C18H20N2/c1-19-12-10-14(11-13-19)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,14H,10-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.372 g/mol  logS: -3.86574  SlogP: 4.1567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856213  Sterimol/B1: 3.62217  Sterimol/B2: 3.62619  Sterimol/B3: 5.60055
  Sterimol/B4: 5.99562  Sterimol/L: 13.5988 
 
 Surface and Volume Properties
  Accessible surface: 502.24  Positive charged surface: 334.092  Negative charged surface: 156.238  Volume: 278.875
  Hydrophobic surface: 499.749  Hydrophilic surface: 2.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02839607
PUBCHEM-ZINC01996705