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NCID-ZINC01683828

 MMsINC code: MMs02317391
Type: Neutral
Formula: C21H18N2O3
SMILES:   OC(=O)C(NC(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C21H18N2O3/c24-19(25)21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23-20(26)22-18-14-8-3-9-15-18/h1-15H,(H,24,25)(H2,22,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.386 g/mol  logS: -4.95983  SlogP: 4.148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149054  Sterimol/B1: 2.51833  Sterimol/B2: 3.24987  Sterimol/B3: 5.55764
  Sterimol/B4: 9.01532  Sterimol/L: 16.0665 
 
 Surface and Volume Properties
  Accessible surface: 583.702  Positive charged surface: 328.333  Negative charged surface: 255.368  Volume: 330.125
  Hydrophobic surface: 486.966  Hydrophilic surface: 96.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02317392
NCID-ZINC01683828