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MAYBRIDGE-ZINC01025071

 MMsINC code: MMs02148231
Type: Neutral
Formula: C16H15F3N2O4S2
SMILES:   S(C(F)(F)F)c1ccc(OCC(=O)NNS(=O)(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C16H15F3N2O4S2/c1-11-2-8-14(9-3-11)27(23,24)21-20-15(22)10-25-12-4-6-13(7-5-12)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=111.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.432 g/mol  logS: -6.26898  SlogP: 3.41532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256107  Sterimol/B1: 2.2401  Sterimol/B2: 2.66207  Sterimol/B3: 4.00538
  Sterimol/B4: 8.22822  Sterimol/L: 17.8339 
 
 Surface and Volume Properties
  Accessible surface: 646.621  Positive charged surface: 271.291  Negative charged surface: 375.329  Volume: 331.25
  Hydrophobic surface: 362.868  Hydrophilic surface: 283.753
 
 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.