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PUBCHEM-ZINC03639595

 MMsINC code: MMs03030864
Type: Neutral
Formula: C15H14F2N4O7S
SMILES:   S(=O)(=O)(NC(=O)Nc1nc(OCF)cc(OCF)n1)c1ccccc1C(OC)=O
InChI:   InChI=1/C15H14F2N4O7S/c1-26-13(22)9-4-2-3-5-10(9)29(24,25)21-15(23)20-14-18-11(27-7-16)6-12(19-14)28-8-17/h2-6H,7-8H2,1H3,(H2,18,19,20,21,23)

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Potential Energy
Epot(MMFF94)=-24.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.36 g/mol  logS: -4.14313  SlogP: 1.3852  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134011  Sterimol/B1: 2.1531  Sterimol/B2: 4.25722  Sterimol/B3: 4.76228
  Sterimol/B4: 9.79958  Sterimol/L: 13.4158 
 
 Surface and Volume Properties
  Accessible surface: 632.143  Positive charged surface: 388.797  Negative charged surface: 243.346  Volume: 329.75
  Hydrophobic surface: 340.915  Hydrophilic surface: 291.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.