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CHEMBRIDGE-ZINC02430442

 MMsINC code: MMs00708985
Type: Neutral
Formula: C19H20N2O
SMILES:   O=C(NCCc1c2cc(ccc2[nH]c1)C)c1ccc(cc1)C
InChI:   InChI=1/C19H20N2O/c1-13-3-6-15(7-4-13)19(22)20-10-9-16-12-21-18-8-5-14(2)11-17(16)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.2302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.382 g/mol  logS: -4.59812  SlogP: 3.75721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482995  Sterimol/B1: 3.09962  Sterimol/B2: 4.46898  Sterimol/B3: 4.60931
  Sterimol/B4: 5.70901  Sterimol/L: 17.8553 
 
 Surface and Volume Properties
  Accessible surface: 577.912  Positive charged surface: 348.271  Negative charged surface: 225.367  Volume: 303.25
  Hydrophobic surface: 489.655  Hydrophilic surface: 88.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.