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CHEMDIV-ZINC06817507

 MMsINC code: MMs01041016
Type: Neutral
Formula: C14H16N2O4
SMILES:   O(C)c1cc2c([nH]c(NC(=O)C)c2C(OCC)=O)cc1
InChI:   InChI=1/C14H16N2O4/c1-4-20-14(18)12-10-7-9(19-3)5-6-11(10)16-13(12)15-8(2)17/h5-7,16H,4H2,1-3H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.5756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.292 g/mol  logS: -2.95481  SlogP: 2.3116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439708  Sterimol/B1: 2.12524  Sterimol/B2: 2.38175  Sterimol/B3: 4.63329
  Sterimol/B4: 9.43874  Sterimol/L: 14.2849 
 
 Surface and Volume Properties
  Accessible surface: 528.661  Positive charged surface: 336.928  Negative charged surface: 186.602  Volume: 256.25
  Hydrophobic surface: 404.166  Hydrophilic surface: 124.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.