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ASINEX-ZINC00029483

 MMsINC code: MMs00059805
Type: Neutral
Formula: C13H18FNO2S
SMILES:   S(=O)(=O)(NC1CCCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C13H18FNO2S/c14-11-7-9-13(10-8-11)18(16,17)15-12-5-3-1-2-4-6-12/h7-10,12,15H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.2547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.356 g/mol  logS: -3.5042  SlogP: 2.8268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140871  Sterimol/B1: 2.334  Sterimol/B2: 3.65899  Sterimol/B3: 4.7161
  Sterimol/B4: 5.52458  Sterimol/L: 12.1943 
 
 Surface and Volume Properties
  Accessible surface: 448.053  Positive charged surface: 261.484  Negative charged surface: 186.569  Volume: 245.75
  Hydrophobic surface: 366.938  Hydrophilic surface: 81.115
 
 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.