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CHEMDIV-ZINC00216961

 MMsINC code: MMs00842060
Type: Neutral
Formula: C11H11NO5
SMILES:   OC(=O)c1cc(NC(=O)CCC(O)=O)ccc1
InChI:   InChI=1/C11H11NO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6H,4-5H2,(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)=29.725 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: 0.0192429  Sterimol/B1: 2.59284  Sterimol/B2: 2.74346  Sterimol/B3: 3.08765
  Sterimol/B4: 6.39002  Sterimol/L: 14.6101 
 
 Surface and Volume Properties
  Accessible surface: 446.638  Positive charged surface: 266.843  Negative charged surface: 179.796  Volume: 207.625
  Hydrophobic surface: 208.705  Hydrophilic surface: 237.933
 
 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


MMs00842061
CHEMDIV-ZINC00216961