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PUBCHEM-ZINC03030965

 MMsINC code: MMs02983088
Type: Neutral
Formula: C19H15Cl2FN2O3
SMILES:   Clc1cc(cc(Cl)c1OC)-c1noc(C)c1C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C19H15Cl2FN2O3/c1-10-16(19(25)23-9-11-3-5-13(22)6-4-11)17(24-27-10)12-7-14(20)18(26-2)15(21)8-12/h3-8H,9H2,1-2H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.244 g/mol  logS: -6.46777  SlogP: 5.30092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062484  Sterimol/B1: 2.55559  Sterimol/B2: 2.77449  Sterimol/B3: 4.31585
  Sterimol/B4: 10.159  Sterimol/L: 15.8958 
 
 Surface and Volume Properties
  Accessible surface: 614.809  Positive charged surface: 283.876  Negative charged surface: 330.933  Volume: 345.875
  Hydrophobic surface: 537.089  Hydrophilic surface: 77.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.