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CHEMBRIDGE-ZINC01215975

 MMsINC code: MMs00689393
Type: Neutral
Formula: C17H10Cl2F2N2O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C17H10Cl2F2N2O2/c1-8-14(17(24)22-13-6-5-9(20)7-12(13)21)16(23-25-8)15-10(18)3-2-4-11(15)19/h2-7H,1H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.4709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.181 g/mol  logS: -6.76833  SlogP: 5.48732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166092  Sterimol/B1: 2.39252  Sterimol/B2: 4.18475  Sterimol/B3: 4.80728
  Sterimol/B4: 9.7948  Sterimol/L: 13.025 
 
 Surface and Volume Properties
  Accessible surface: 550.558  Positive charged surface: 211.04  Negative charged surface: 339.518  Volume: 304.5
  Hydrophobic surface: 513.236  Hydrophilic surface: 37.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.