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PUBCHEM-ZINC03092899

 MMsINC code: MMs02992432
Type: Neutral
Formula: C15H16FN5O5S
SMILES:   S(=O)(=O)(NC(=O)Nc1nc(F)nc(N(C)C)c1)c1ccccc1C(OC)=O
InChI:   InChI=1/C15H16FN5O5S/c1-21(2)12-8-11(17-14(16)19-12)18-15(23)20-27(24,25)10-7-5-4-6-9(10)13(22)26-3/h4-8H,1-3H3,(H2,17,18,19,20,23)

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Potential Energy
Epot(MMFF94)=0.0704863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.387 g/mol  logS: -4.20638  SlogP: 0.9787  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131554  Sterimol/B1: 4.01268  Sterimol/B2: 4.36034  Sterimol/B3: 4.86742
  Sterimol/B4: 6.92187  Sterimol/L: 15.5687 
 
 Surface and Volume Properties
  Accessible surface: 612.577  Positive charged surface: 412.016  Negative charged surface: 200.561  Volume: 323.5
  Hydrophobic surface: 427.356  Hydrophilic surface: 185.221
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.