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CHEMBRIDGE-ZINC00453142

 MMsINC code: MMs00619463
Type: Neutral
Formula: C19H23NO2
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)C(CC)CC)cc1
InChI:   InChI=1/C19H23NO2/c1-3-16(4-2)19(21)20-17-10-12-18(13-11-17)22-14-15-8-6-5-7-9-15/h5-13,16H,3-4,14H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -4.84659  SlogP: 4.9067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364347  Sterimol/B1: 2.47033  Sterimol/B2: 3.3638  Sterimol/B3: 3.90371
  Sterimol/B4: 6.36204  Sterimol/L: 19.1588 
 
 Surface and Volume Properties
  Accessible surface: 600.837  Positive charged surface: 378.868  Negative charged surface: 221.969  Volume: 313.875
  Hydrophobic surface: 523.133  Hydrophilic surface: 77.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.