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CHEMDIV-ZINC03907782

 MMsINC code: MMs00919842
Type: Neutral
Formula: C16H10ClFN2O3
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2ccc(O)cc2)ccc1F
InChI:   InChI=1/C16H10ClFN2O3/c17-12-7-10(3-6-13(12)18)19-16(22)14-8-15(23-20-14)9-1-4-11(21)5-2-9/h1-8,21H,(H,19,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.5495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.718 g/mol  logS: -5.21664  SlogP: 4.092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00951102  Sterimol/B1: 2.48156  Sterimol/B2: 2.66158  Sterimol/B3: 2.96337
  Sterimol/B4: 6.18602  Sterimol/L: 18.6002 
 
 Surface and Volume Properties
  Accessible surface: 544.852  Positive charged surface: 241.997  Negative charged surface: 302.855  Volume: 278.5
  Hydrophobic surface: 416.772  Hydrophilic surface: 128.08
 
 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.