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MAYBRIDGE-ZINC00114385

 MMsINC code: MMs02133983
Type: Neutral
Formula: C13H14ClFN2O3S
SMILES:   Clc1cc(F)ccc1-c1onc(n1)CS(=O)(=O)C(C)(C)C
InChI:   InChI=1/C13H14ClFN2O3S/c1-13(2,3)21(18,19)7-11-16-12(20-17-11)9-5-4-8(15)6-10(9)14/h4-6H,7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.783 g/mol  logS: -5.27936  SlogP: 3.5088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502748  Sterimol/B1: 2.3457  Sterimol/B2: 2.90115  Sterimol/B3: 4.32668
  Sterimol/B4: 5.39248  Sterimol/L: 16.1838 
 
 Surface and Volume Properties
  Accessible surface: 514.187  Positive charged surface: 240.052  Negative charged surface: 274.135  Volume: 271.25
  Hydrophobic surface: 371.387  Hydrophilic surface: 142.8
 
 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: 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.