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NCID-ZINC01639967

 MMsINC code: MMs02282089
Type: Neutral
Formula: C17H19NO2
SMILES:   OC(=O)CCN(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C17H19NO2/c19-17(20)11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.344 g/mol  logS: -2.90199  SlogP: 3.6963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179831  Sterimol/B1: 2.27291  Sterimol/B2: 3.05132  Sterimol/B3: 4.47712
  Sterimol/B4: 9.14938  Sterimol/L: 13.1295 
 
 Surface and Volume Properties
  Accessible surface: 521.169  Positive charged surface: 312.077  Negative charged surface: 209.092  Volume: 278.625
  Hydrophobic surface: 413.847  Hydrophilic surface: 107.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.