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AURORAFEINCHEMIE-ZINC01041920

 MMsINC code: MMs00447903
Type: Neutral
Formula: C14H16N2O4
SMILES:   O(C(=O)N(C)C)C1=CC(=O)N(c2c1ccc(OC)c2)C
InChI:   InChI=1/C14H16N2O4/c1-15(2)14(18)20-12-8-13(17)16(3)11-7-9(19-4)5-6-10(11)12/h5-8H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.292 g/mol  logS: -2.277  SlogP: 1.7107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706744  Sterimol/B1: 3.37495  Sterimol/B2: 3.38462  Sterimol/B3: 3.572
  Sterimol/B4: 8.47853  Sterimol/L: 12.5522 
 
 Surface and Volume Properties
  Accessible surface: 499.681  Positive charged surface: 391.073  Negative charged surface: 108.608  Volume: 259.125
  Hydrophobic surface: 424.016  Hydrophilic surface: 75.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.