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MAYBRIDGE-ZINC00118182

 MMsINC code: MMs02134701
Type: Neutral
Formula: C12H9ClFNO4S2
SMILES:   Clc1cc(sc1C(OC)=O)S(=O)(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C12H9ClFNO4S2/c1-19-12(16)11-9(13)6-10(20-11)21(17,18)15-8-4-2-7(14)3-5-8/h2-6,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.79 g/mol  logS: -4.57565  SlogP: 3.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101116  Sterimol/B1: 2.65997  Sterimol/B2: 4.20965  Sterimol/B3: 5.38421
  Sterimol/B4: 5.87093  Sterimol/L: 14.6723 
 
 Surface and Volume Properties
  Accessible surface: 517.249  Positive charged surface: 237.635  Negative charged surface: 279.614  Volume: 264.25
  Hydrophobic surface: 395.027  Hydrophilic surface: 122.222
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.