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CHEMDIV-ZINC03624381

 MMsINC code: MMs00911692
Type: Neutral
Formula: C18H13F3N4O5S2
SMILES:   s1cccc1-c1nc(nc(c1)C(F)(F)F)NC(=O)NS(=O)(=O)c1ccccc1C(OC)=O
InChI:   InChI=1/C18H13F3N4O5S2/c1-30-15(26)10-5-2-3-7-13(10)32(28,29)25-17(27)24-16-22-11(12-6-4-8-31-12)9-14(23-16)18(19,20)21/h2-9H,1H3,(H2,22,23,24,25,27)

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Potential Energy
Epot(MMFF94)=19.4057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.451 g/mol  logS: -6.58867  SlogP: 3.8324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995457  Sterimol/B1: 2.20379  Sterimol/B2: 4.30948  Sterimol/B3: 4.80861
  Sterimol/B4: 9.75801  Sterimol/L: 16.4112 
 
 Surface and Volume Properties
  Accessible surface: 678.011  Positive charged surface: 319.083  Negative charged surface: 358.928  Volume: 370.25
  Hydrophobic surface: 421.963  Hydrophilic surface: 256.048
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.