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KEYORGANICS-ZINC01394141

 MMsINC code: MMs02101916
Type: Neutral
Formula: C17H10Cl2FNO3
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)COC(=O)c1ccc(F)cc1
InChI:   InChI=1/C17H10Cl2FNO3/c18-14-6-3-11(7-15(14)19)16-8-13(21-24-16)9-23-17(22)10-1-4-12(20)5-2-10/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.6293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.175 g/mol  logS: -6.49252  SlogP: 5.4109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00265773  Sterimol/B1: 2.37415  Sterimol/B2: 2.37595  Sterimol/B3: 4.71634
  Sterimol/B4: 6.14305  Sterimol/L: 17.5439 
 
 Surface and Volume Properties
  Accessible surface: 582.12  Positive charged surface: 221.841  Negative charged surface: 360.279  Volume: 300.125
  Hydrophobic surface: 511.109  Hydrophilic surface: 71.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.