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PUBCHEM-ZINC00984372

 MMsINC code: MMs02749561
Type: Neutral
Formula: C16H11NO4
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.267 g/mol  logS: -4.20191  SlogP: 2.49382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00297679  Sterimol/B1: 2.10391  Sterimol/B2: 2.51222  Sterimol/B3: 2.80929
  Sterimol/B4: 5.28132  Sterimol/L: 16.6921 
 
 Surface and Volume Properties
  Accessible surface: 488.407  Positive charged surface: 254.274  Negative charged surface: 234.133  Volume: 251.25
  Hydrophobic surface: 321.949  Hydrophilic surface: 166.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02749562
PUBCHEM-ZINC00984372