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PUBCHEM-ZINC05605980

 MMsINC code: MMs03322827
Type: Neutral
Formula: C10H7NO4
SMILES:   Oc1c2c(C(=O)CC(=N)C2=O)c(O)cc1
InChI:   InChI=1/C10H7NO4/c11-4-3-7(14)8-5(12)1-2-6(13)9(8)10(4)15/h1-2,11-13H,3H2/b11-4-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.169 g/mol  logS: -1.83367  SlogP: 0.88667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498395  Sterimol/B1: 2.385  Sterimol/B2: 3.07725  Sterimol/B3: 4.09293
  Sterimol/B4: 5.02663  Sterimol/L: 10.5186 
 
 Surface and Volume Properties
  Accessible surface: 366.562  Positive charged surface: 211.712  Negative charged surface: 154.85  Volume: 172
  Hydrophobic surface: 152.393  Hydrophilic surface: 214.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.