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MAYBRIDGE-ZINC01037575

 MMsINC code: MMs02152263
Type: Neutral
Formula: C21H17ClF3NO4S3
SMILES:   Clc1ccc(S(=O)(=O)CCSc2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChI:   InChI=1/C21H17ClF3NO4S3/c22-15-9-11-16(12-10-15)32(27,28)14-13-31-19-7-3-2-6-18(19)26-33(29,30)20-8-4-1-5-17(20)21(23,24)25/h1-12,26H,13-14H2

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Potential Energy
Epot(MMFF94)=93.4215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 536.015 g/mol  logS: -7.79399  SlogP: 6.0371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472871  Sterimol/B1: 3.0868  Sterimol/B2: 4.85433  Sterimol/B3: 5.06708
  Sterimol/B4: 5.96836  Sterimol/L: 21.5559 
 
 Surface and Volume Properties
  Accessible surface: 717.153  Positive charged surface: 266.396  Negative charged surface: 450.757  Volume: 414.875
  Hydrophobic surface: 498.022  Hydrophilic surface: 219.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.