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PUBCHEM-ZINC03466236

 MMsINC code: MMs03014714
Type: Neutral
Formula: C21H17NO3
SMILES:   OC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)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)=115.445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.371 g/mol  logS: -5.0282  SlogP: 4.1554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140873  Sterimol/B1: 2.49666  Sterimol/B2: 3.57374  Sterimol/B3: 4.31521
  Sterimol/B4: 9.32313  Sterimol/L: 14.0637 
 
 Surface and Volume Properties
  Accessible surface: 570.388  Positive charged surface: 326.232  Negative charged surface: 244.156  Volume: 320.875
  Hydrophobic surface: 475.985  Hydrophilic surface: 94.403
 
 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


MMs03014715
PUBCHEM-ZINC03466236