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CHEMBRIDGE-ZINC00475918

 MMsINC code: MMs00629163
Type: Neutral
Formula: C19H21NO2
SMILES:   O(C(C(=O)NC1CCCc2c1cccc2)C)c1ccccc1
InChI:   InChI=1/C19H21NO2/c1-14(22-16-10-3-2-4-11-16)19(21)20-18-13-7-9-15-8-5-6-12-17(15)18/h2-6,8,10-12,14,18H,7,9,13H2,1H3,(H,20,21)/t14-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.6529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.382 g/mol  logS: -4.6038  SlogP: 3.74317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641251  Sterimol/B1: 2.14284  Sterimol/B2: 4.45189  Sterimol/B3: 5.1379
  Sterimol/B4: 5.23558  Sterimol/L: 16.4935 
 
 Surface and Volume Properties
  Accessible surface: 547.65  Positive charged surface: 337.759  Negative charged surface: 209.891  Volume: 301.375
  Hydrophobic surface: 489.819  Hydrophilic surface: 57.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.