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MAYBRIDGE-ZINC01047059

 MMsINC code: MMs02156744
Type: Neutral
Formula: C16H11ClF2N2O3S
SMILES:   Clc1cc(F)ccc1-c1onc(n1)CS(=O)(=O)Cc1ccc(F)cc1
InChI:   InChI=1/C16H11ClF2N2O3S/c17-14-7-12(19)5-6-13(14)16-20-15(21-24-16)9-25(22,23)8-10-1-3-11(18)4-2-10/h1-7H,8-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.4206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.79 g/mol  logS: -6.36061  SlogP: 4.316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054304  Sterimol/B1: 2.88697  Sterimol/B2: 3.45872  Sterimol/B3: 4.25399
  Sterimol/B4: 5.23601  Sterimol/L: 18.1015 
 
 Surface and Volume Properties
  Accessible surface: 570.896  Positive charged surface: 251.517  Negative charged surface: 319.379  Volume: 302
  Hydrophobic surface: 482.879  Hydrophilic surface: 88.017
 
 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.