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MAYBRIDGE-ZINC02161339

 MMsINC code: MMs02159314
Type: Neutral
Formula: C17H9Cl3FNO3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1ccc(F)cc1Cl)=O
InChI:   InChI=1/C17H9Cl3FNO3/c1-8-14(17(23)24-13-6-5-9(21)7-12(13)20)16(22-25-8)15-10(18)3-2-4-11(15)19/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.2282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.62 g/mol  logS: -7.35171  SlogP: 5.96852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103435  Sterimol/B1: 2.41629  Sterimol/B2: 4.44687  Sterimol/B3: 4.51449
  Sterimol/B4: 9.34663  Sterimol/L: 12.8959 
 
 Surface and Volume Properties
  Accessible surface: 552.605  Positive charged surface: 187.219  Negative charged surface: 365.385  Volume: 314.625
  Hydrophobic surface: 514.256  Hydrophilic surface: 38.349
 
 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.