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ENAMINE-ZINC00945476

 MMsINC code: MMs01236356
Type: Neutral
Formula: C17H12F3N3O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2cc(ccc2)C(F)(F)F)cc1
InChI:   InChI=1/C17H12F3N3O3S2/c18-17(19,20)12-3-1-2-11(10-12)15(24)22-13-4-6-14(7-5-13)28(25,26)23-16-21-8-9-27-16/h1-10H,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=78.0193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.427 g/mol  logS: -5.54463  SlogP: 4.5265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314231  Sterimol/B1: 2.78849  Sterimol/B2: 3.40782  Sterimol/B3: 3.74988
  Sterimol/B4: 7.3365  Sterimol/L: 18.1832 
 
 Surface and Volume Properties
  Accessible surface: 608.187  Positive charged surface: 254.052  Negative charged surface: 354.135  Volume: 329.125
  Hydrophobic surface: 353.946  Hydrophilic surface: 254.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.