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CHEMBRIDGE-ZINC00214351

 MMsINC code: MMs00596186
Type: Neutral
Formula: C14H16N2O2
SMILES:   o1ccc(C(=O)Nc2ccc(N(C)C)cc2)c1C
InChI:   InChI=1/C14H16N2O2/c1-10-13(8-9-18-10)14(17)15-11-4-6-12(7-5-11)16(2)3/h4-9H,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.294 g/mol  logS: -3.19432  SlogP: 2.90632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025676  Sterimol/B1: 2.09483  Sterimol/B2: 2.13711  Sterimol/B3: 3.43279
  Sterimol/B4: 6.12114  Sterimol/L: 15.2814 
 
 Surface and Volume Properties
  Accessible surface: 482.073  Positive charged surface: 313.53  Negative charged surface: 168.543  Volume: 246.125
  Hydrophobic surface: 438.166  Hydrophilic surface: 43.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.