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NCID-ZINC01619979

 MMsINC code: MMs02268280
Type: Neutral
Formula: C19H15FN2O4
SMILES:   Fc1ccc(cc1)\C=C/1\NC(=O)N(C(Cc2ccccc2)C(O)=O)C\1=O
InChI:   InChI=1/C19H15FN2O4/c20-14-8-6-13(7-9-14)10-15-17(23)22(19(26)21-15)16(18(24)25)11-12-4-2-1-3-5-12/h1-10,16H,11H2,(H,21,26)(H,24,25)/b15-10-/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.337 g/mol  logS: -4.49395  SlogP: 2.41427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836654  Sterimol/B1: 2.56316  Sterimol/B2: 3.00904  Sterimol/B3: 4.45762
  Sterimol/B4: 9.21124  Sterimol/L: 15.1172 
 
 Surface and Volume Properties
  Accessible surface: 568.737  Positive charged surface: 284.891  Negative charged surface: 283.846  Volume: 314.125
  Hydrophobic surface: 415.043  Hydrophilic surface: 153.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02268281
NCID-ZINC01619979