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PUBCHEM-ZINC02006566

 MMsINC code: MMs02846609
Type: Neutral
Formula: C19H20N2
SMILES:   n1-2cc(c3c1c(CCc1c-2cccc1)ccc3)CN(C)C
InChI:   InChI=1/C19H20N2/c1-20(2)12-16-13-21-18-9-4-3-6-14(18)10-11-15-7-5-8-17(16)19(15)21/h3-9,13H,10-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.383 g/mol  logS: -3.483  SlogP: 4.05704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584454  Sterimol/B1: 3.21976  Sterimol/B2: 3.41616  Sterimol/B3: 3.63543
  Sterimol/B4: 7.41326  Sterimol/L: 13.862 
 
 Surface and Volume Properties
  Accessible surface: 509.144  Positive charged surface: 347.453  Negative charged surface: 158.365  Volume: 288.5
  Hydrophobic surface: 487.913  Hydrophilic surface: 21.231
 
 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


MMs02846610
PUBCHEM-ZINC02006566