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CHEMSTAR-ZINC00397534

 MMsINC code: MMs01074980
Type: Neutral
Formula: C21H17NO3
SMILES:   OC(=O)c1ccccc1C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C21H17NO3/c23-20(17-13-7-8-14-18(17)21(24)25)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.4981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.371 g/mol  logS: -5.03621  SlogP: 3.9997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.248444  Sterimol/B1: 2.22988  Sterimol/B2: 3.33781  Sterimol/B3: 5.76693
  Sterimol/B4: 9.24009  Sterimol/L: 13.2203 
 
 Surface and Volume Properties
  Accessible surface: 583.586  Positive charged surface: 311.078  Negative charged surface: 272.508  Volume: 322
  Hydrophobic surface: 479.028  Hydrophilic surface: 104.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01074981
CHEMSTAR-ZINC00397534