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PUBCHEM-ZINC00346053

 MMsINC code: MMs02660308
Type: Neutral
Formula: C19H15NO2
SMILES:   OC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C19H15NO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -4.92941  SlogP: 4.8546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162257  Sterimol/B1: 2.45868  Sterimol/B2: 3.59207  Sterimol/B3: 3.82794
  Sterimol/B4: 9.57062  Sterimol/L: 13.7325 
 
 Surface and Volume Properties
  Accessible surface: 530.294  Positive charged surface: 287.336  Negative charged surface: 242.958  Volume: 288.375
  Hydrophobic surface: 431.864  Hydrophilic surface: 98.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02660309
PUBCHEM-ZINC00346053