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ENAMINE-ZINC03360851

 MMsINC code: MMs01395805
Type: Neutral
Formula: C19H21NO2
SMILES:   O(C)c1ccc(cc1)CC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C19H21NO2/c1-22-16-11-9-14(10-12-16)13-19(21)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-12,18H,4,6,8,13H2,1H3,(H,20,21)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.382 g/mol  logS: -4.31162  SlogP: 3.52694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470295  Sterimol/B1: 2.70438  Sterimol/B2: 4.39449  Sterimol/B3: 4.39675
  Sterimol/B4: 5.73509  Sterimol/L: 16.4236 
 
 Surface and Volume Properties
  Accessible surface: 560.496  Positive charged surface: 386.484  Negative charged surface: 174.012  Volume: 301.125
  Hydrophobic surface: 517.494  Hydrophilic surface: 43.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.