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NCID-ZINC01574082

 MMsINC code: MMs02233337
Type: Neutral
Formula: C19H10Cl4F3NO4S2
SMILES:   Clc1cc(S(=O)(=O)N(S(=O)(=O)c2cc(Cl)c(Cl)cc2)c2cc(ccc2)C(F)(F
)F)ccc1Cl
InChI:   InChI=1/C19H10Cl4F3NO4S2/c20-15-6-4-13(9-17(15)22)32(28,29)27(12-3-1-2-11(8-12)19(24,25)26)33(30,31)14-5-7-16(21)18(23)10-14/h1-10H

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Potential Energy
Epot(MMFF94)=93.4225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 579.23 g/mol  logS: -8.98139  SlogP: 7.2147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829147  Sterimol/B1: 2.97515  Sterimol/B2: 3.41001  Sterimol/B3: 4.63154
  Sterimol/B4: 9.6441  Sterimol/L: 16.8295 
 
 Surface and Volume Properties
  Accessible surface: 660.067  Positive charged surface: 140.242  Negative charged surface: 519.825  Volume: 404
  Hydrophobic surface: 489.982  Hydrophilic surface: 170.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.