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ENAMINE-ZINC06623212

 MMsINC code: MMs01686860
Type: Neutral
Formula: C14H12F3NO3S
SMILES:   S(=O)(=O)(Nc1ccccc1CO)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H12F3NO3S/c15-14(16,17)11-5-3-6-12(8-11)22(20,21)18-13-7-2-1-4-10(13)9-19/h1-8,18-19H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.6702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.314 g/mol  logS: -3.87429  SlogP: 3.5764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297105  Sterimol/B1: 2.43002  Sterimol/B2: 3.46861  Sterimol/B3: 5.16421
  Sterimol/B4: 7.02193  Sterimol/L: 11.2473 
 
 Surface and Volume Properties
  Accessible surface: 485.625  Positive charged surface: 216.817  Negative charged surface: 268.808  Volume: 262.375
  Hydrophobic surface: 261.344  Hydrophilic surface: 224.281
 
 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: no related molecules available.