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CHEMDIV-ZINC00247600

 MMsINC code: MMs00845912
Type: Neutral
Formula: C16H14N2O2
SMILES:   o1c2c(nc1-c1cc(ccc1)C)cc(NC(=O)C)cc2
InChI:   InChI=1/C16H14N2O2/c1-10-4-3-5-12(8-10)16-18-14-9-13(17-11(2)19)6-7-15(14)20-16/h3-9H,1-2H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -5.38392  SlogP: 3.76162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00785902  Sterimol/B1: 2.48572  Sterimol/B2: 2.5531  Sterimol/B3: 3.76096
  Sterimol/B4: 5.82686  Sterimol/L: 16.9384 
 
 Surface and Volume Properties
  Accessible surface: 518.492  Positive charged surface: 305.509  Negative charged surface: 212.983  Volume: 259
  Hydrophobic surface: 427.759  Hydrophilic surface: 90.733
 
 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.