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PUBCHEM-ZINC06094425

 MMsINC code: MMs03540568
Type: Neutral
Formula: C10H7NO4
SMILES:   OC(=O)c1c2[nH]c(cc2ccc1)C(O)=O
InChI:   InChI=1/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.6186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.169 g/mol  logS: -1.7665  SlogP: 1.5643  Reactive groups: 0
 
 Topological Properties
  Globularity: 9.56952e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09871  Sterimol/B3: 2.94116
  Sterimol/B4: 6.37613  Sterimol/L: 11.1544 
 
 Surface and Volume Properties
  Accessible surface: 377.324  Positive charged surface: 194.994  Negative charged surface: 175.945  Volume: 174.75
  Hydrophobic surface: 169.454  Hydrophilic surface: 207.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03540569
PUBCHEM-ZINC06094425