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ENAMINE-ZINC03235534

 MMsINC code: MMs01321574
Type: Neutral
Formula: C16H14Cl2N2O4
SMILES:   Clc1cc(cnc1Cl)C(OCC(=O)Nc1ccccc1OCC)=O
InChI:   InChI=1/C16H14Cl2N2O4/c1-2-23-13-6-4-3-5-12(13)20-14(21)9-24-16(22)10-7-11(17)15(18)19-8-10/h3-8H,2,9H2,1H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.9338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.204 g/mol  logS: -4.66233  SlogP: 3.5826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151898  Sterimol/B1: 1.969  Sterimol/B2: 2.64283  Sterimol/B3: 3.44984
  Sterimol/B4: 8.42984  Sterimol/L: 18.723 
 
 Surface and Volume Properties
  Accessible surface: 618.227  Positive charged surface: 328.113  Negative charged surface: 290.115  Volume: 310.25
  Hydrophobic surface: 486.883  Hydrophilic surface: 131.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.