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MAYBRIDGE-ZINC00140444

 MMsINC code: MMs02139372
Type: Neutral
Formula: C14H12Cl2FNO2S
SMILES:   Clc1cccc(Cl)c1NS(=O)(=O)c1ccc(C)c(F)c1C
InChI:   InChI=1/C14H12Cl2FNO2S/c1-8-6-7-12(9(2)13(8)17)21(19,20)18-14-10(15)4-3-5-11(14)16/h3-7,18H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.5411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.225 g/mol  logS: -5.13122  SlogP: 4.55014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240384  Sterimol/B1: 2.54328  Sterimol/B2: 4.30364  Sterimol/B3: 4.46486
  Sterimol/B4: 6.6516  Sterimol/L: 12.6692 
 
 Surface and Volume Properties
  Accessible surface: 489.565  Positive charged surface: 207.28  Negative charged surface: 282.285  Volume: 275.875
  Hydrophobic surface: 429.939  Hydrophilic surface: 59.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.