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ENAMINE-ZINC06590278

 MMsINC code: MMs01681441
Type: Neutral
Formula: C10H11NO4
SMILES:   O1CCOc2c1cc(NC(=O)CO)cc2
InChI:   InChI=1/C10H11NO4/c12-6-10(13)11-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5,12H,3-4,6H2,(H,11,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.3911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.201 g/mol  logS: -1.63403  SlogP: 0.3886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286405  Sterimol/B1: 2.55461  Sterimol/B2: 3.01867  Sterimol/B3: 3.26805
  Sterimol/B4: 4.80805  Sterimol/L: 14.2384 
 
 Surface and Volume Properties
  Accessible surface: 408.006  Positive charged surface: 297.559  Negative charged surface: 110.446  Volume: 186.125
  Hydrophobic surface: 287.074  Hydrophilic surface: 120.932
 
 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: no related molecules available.