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PUBCHEM-ZINC02858861

 MMsINC code: MMs02942925
Type: Neutral
Formula: C20H17F2N3O3S
SMILES:   S(=O)(=O)(Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1)c1ccc(cc1)C
InChI:   InChI=1/C20H17F2N3O3S/c1-13-2-9-17(10-3-13)29(27,28)25-16-7-5-15(6-8-16)23-20(26)24-19-11-4-14(21)12-18(19)22/h2-12,25H,1H3,(H2,23,24,26)

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Potential Energy
Epot(MMFF94)=68.4557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.436 g/mol  logS: -5.97777  SlogP: 4.71802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727957  Sterimol/B1: 2.02593  Sterimol/B2: 3.3101  Sterimol/B3: 4.51473
  Sterimol/B4: 8.36162  Sterimol/L: 17.8857 
 
 Surface and Volume Properties
  Accessible surface: 648.437  Positive charged surface: 334.862  Negative charged surface: 313.575  Volume: 357.5
  Hydrophobic surface: 511.171  Hydrophilic surface: 137.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.