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CHEMDIV-ZINC06818892

 MMsINC code: MMs01042402
Type: Neutral
Formula: C16H17F2N3O3S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(n(c1)C)C(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C16H17F2N3O3S/c1-20-10-12(25(23,24)21-6-2-3-7-21)9-15(20)16(22)19-14-5-4-11(17)8-13(14)18/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=53.7149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.392 g/mol  logS: -2.90092  SlogP: 2.6993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767092  Sterimol/B1: 2.08941  Sterimol/B2: 3.49125  Sterimol/B3: 4.67001
  Sterimol/B4: 7.75268  Sterimol/L: 16.7115 
 
 Surface and Volume Properties
  Accessible surface: 586.41  Positive charged surface: 351.149  Negative charged surface: 235.262  Volume: 311.75
  Hydrophobic surface: 478.474  Hydrophilic surface: 107.936
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.