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ENAMINE-ZINC05120627

 MMsINC code: MMs01589771
Type: Neutral
Formula: C13H17ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
InChI:   InChI=1/C13H17ClFNO2S/c14-12-9-11(7-8-13(12)15)19(17,18)16-10-5-3-1-2-4-6-10/h7-10,16H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.801 g/mol  logS: -4.23849  SlogP: 3.4802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227487  Sterimol/B1: 3.63644  Sterimol/B2: 4.22864  Sterimol/B3: 4.37835
  Sterimol/B4: 5.9279  Sterimol/L: 11.7701 
 
 Surface and Volume Properties
  Accessible surface: 476.204  Positive charged surface: 244.069  Negative charged surface: 232.135  Volume: 261.375
  Hydrophobic surface: 400.927  Hydrophilic surface: 75.277
 
 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.