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PUBCHEM-ZINC06115913

 MMsINC code: MMs03544815
Type: Neutral
Formula: C14H22FNO2S
SMILES:   S(=O)(=O)(N(C(CC)C)C(CC)C)c1ccc(F)cc1
InChI:   InChI=1/C14H22FNO2S/c1-5-11(3)16(12(4)6-2)19(17,18)14-9-7-13(15)8-10-14/h7-12H,5-6H2,1-4H3/t11-,12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.6877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.399 g/mol  logS: -3.3058  SlogP: 3.4134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19653  Sterimol/B1: 2.42227  Sterimol/B2: 2.97844  Sterimol/B3: 5.53283
  Sterimol/B4: 6.16522  Sterimol/L: 12.8806 
 
 Surface and Volume Properties
  Accessible surface: 456.386  Positive charged surface: 263.27  Negative charged surface: 193.116  Volume: 271.375
  Hydrophobic surface: 353.346  Hydrophilic surface: 103.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.