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MAYBRIDGE-ZINC00082655

 MMsINC code: MMs02129135
Type: Neutral
Formula: C15H12F3NO3S
SMILES:   s1cc(C)c(NC(=O)c2ccc(cc2)C(F)(F)F)c1C(OC)=O
InChI:   InChI=1/C15H12F3NO3S/c1-8-7-23-12(14(21)22-2)11(8)19-13(20)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.3133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.325 g/mol  logS: -4.76029  SlogP: 4.42572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541385  Sterimol/B1: 2.23892  Sterimol/B2: 2.48551  Sterimol/B3: 3.66917
  Sterimol/B4: 8.93104  Sterimol/L: 14.802 
 
 Surface and Volume Properties
  Accessible surface: 534.008  Positive charged surface: 250.874  Negative charged surface: 283.133  Volume: 278.125
  Hydrophobic surface: 376.049  Hydrophilic surface: 157.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.