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ENAMINE-ZINC06753506

MMsINC code: MMs01695323

Type: Neutral
Formula: C14H11F3N2O3S
SMILES:   S(=O)(=O)(N)c1cc(NC(=O)c2ccc(cc2)C(F)(F)F)ccc1
InChI:   InChI=1/C14H11F3N2O3S/c15-14(16,17)10-6-4-9(5-7-10)13(20)19-11-2-1-3-12(8-11)23(18,21)22/h1-8H,(H,19,20)(H2,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=52.8246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.313 g/mol  logS: -4.63803  SlogP: 2.9166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378326  Sterimol/B1: 2.097  Sterimol/B2: 2.53236  Sterimol/B3: 3.97172
  Sterimol/B4: 6.5116  Sterimol/L: 16.7015 
 
 Surface and Volume Properties
  Accessible surface: 529.547  Positive charged surface: 214.474  Negative charged surface: 315.073  Volume: 264.75
  Hydrophobic surface: 256.395  Hydrophilic surface: 273.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01695324
ENAMINE-ZINC06753506