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CHEMDIV-ZINC06808457

 MMsINC code: MMs01035980
Type: Neutral
Formula: C18H11ClFNO3S2
SMILES:   Clc1cc2S(=O)(=O)Cc3cc(sc3-c2cc1)C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C18H11ClFNO3S2/c19-11-1-6-14-16(8-11)26(23,24)9-10-7-15(25-17(10)14)18(22)21-13-4-2-12(20)3-5-13/h1-8H,9H2,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.873 g/mol  logS: -6.84908  SlogP: 5.0136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230935  Sterimol/B1: 2.14543  Sterimol/B2: 4.24047  Sterimol/B3: 4.63951
  Sterimol/B4: 5.60256  Sterimol/L: 19.1514 
 
 Surface and Volume Properties
  Accessible surface: 590.366  Positive charged surface: 228.262  Negative charged surface: 362.104  Volume: 322.25
  Hydrophobic surface: 481.526  Hydrophilic surface: 108.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.