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NCID-ZINC00345709

 MMsINC code: MMs02214384
Type: Neutral
Formula: C19H15NO2
SMILES:   OC(=O)c1ccccc1N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H15NO2/c21-19(22)17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.886 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: 0.38218  Sterimol/B1: 2.29712  Sterimol/B2: 4.13199  Sterimol/B3: 5.36765
  Sterimol/B4: 9.37201  Sterimol/L: 11.8568 
 
 Surface and Volume Properties
  Accessible surface: 507.005  Positive charged surface: 284.051  Negative charged surface: 222.955  Volume: 285
  Hydrophobic surface: 439.844  Hydrophilic surface: 67.161
 
 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


MMs02214385
NCID-ZINC00345709