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PEAKDALE-ZINC01744236

 MMsINC code: MMs02615648
Type: Neutral
Formula: C10H16F3NO4S
SMILES:   S(CC(NC(OC(C)(C)C)=O)C(OC)=O)C(F)(F)F
InChI:   InChI=1/C10H16F3NO4S/c1-9(2,3)18-8(16)14-6(7(15)17-4)5-19-10(11,12)13/h6H,5H2,1-4H3,(H,14,16)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.301 g/mol  logS: -3.36056  SlogP: 2.7256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830425  Sterimol/B1: 3.42811  Sterimol/B2: 3.48236  Sterimol/B3: 4.40262
  Sterimol/B4: 7.44143  Sterimol/L: 13.3026 
 
 Surface and Volume Properties
  Accessible surface: 518.375  Positive charged surface: 290.405  Negative charged surface: 227.97  Volume: 247.875
  Hydrophobic surface: 261.359  Hydrophilic surface: 257.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.