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ENAMINE-ZINC03313244

 MMsINC code: MMs01365270
Type: Neutral
Formula: C16H12Cl2F2N2O4
SMILES:   Clc1cc(Cl)cc(C(OCC(=O)Nc2ccc(OC(F)F)cc2)=O)c1N
InChI:   InChI=1/C16H12Cl2F2N2O4/c17-8-5-11(14(21)12(18)6-8)15(24)25-7-13(23)22-9-1-3-10(4-2-9)26-16(19)20/h1-6,16H,7,21H2,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.184 g/mol  logS: -5.08675  SlogP: 4.3924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140364  Sterimol/B1: 2.17051  Sterimol/B2: 3.95099  Sterimol/B3: 4.38845
  Sterimol/B4: 5.43201  Sterimol/L: 20.3273 
 
 Surface and Volume Properties
  Accessible surface: 606.875  Positive charged surface: 273.313  Negative charged surface: 333.562  Volume: 317.5
  Hydrophobic surface: 403.699  Hydrophilic surface: 203.176
 
 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.