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ENAMINE-ZINC03495340

 MMsINC code: MMs01473569
Type: Neutral
Formula: C15H11ClF2N2O4
SMILES:   Clc1ncccc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChI:   InChI=1/C15H11ClF2N2O4/c16-13-11(2-1-7-19-13)20-12(21)8-23-14(22)9-3-5-10(6-4-9)24-15(17)18/h1-7,15H,8H2,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.712 g/mol  logS: -3.6847  SlogP: 3.5518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112849  Sterimol/B1: 2.12554  Sterimol/B2: 2.49777  Sterimol/B3: 3.54431
  Sterimol/B4: 6.75202  Sterimol/L: 17.8297 
 
 Surface and Volume Properties
  Accessible surface: 565.386  Positive charged surface: 284.633  Negative charged surface: 280.753  Volume: 284.875
  Hydrophobic surface: 379.259  Hydrophilic surface: 186.127
 
 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.