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CHEMDIV-ZINC00241255

 MMsINC code: MMs00845329
Type: Neutral
Formula: C11H11NO5
SMILES:   OC(=O)c1ccc(NC(=O)CCC(O)=O)cc1
InChI:   InChI=1/C11H11NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.211 g/mol  logS: -1.31605  SlogP: 1.1881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166149  Sterimol/B1: 2.41696  Sterimol/B2: 2.52404  Sterimol/B3: 3.18891
  Sterimol/B4: 5.19843  Sterimol/L: 16.5405 
 
 Surface and Volume Properties
  Accessible surface: 451.911  Positive charged surface: 268.218  Negative charged surface: 183.693  Volume: 208.125
  Hydrophobic surface: 214.231  Hydrophilic surface: 237.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00845330
CHEMDIV-ZINC00241255