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ASINEX-ZINC00304610

 MMsINC code: MMs00114740
Type: Neutral
Formula: C12H16FNO2S
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(F)cc1
InChI:   InChI=1/C12H16FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.70751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.329 g/mol  logS: -2.98898  SlogP: 2.4367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177434  Sterimol/B1: 2.67189  Sterimol/B2: 3.57757  Sterimol/B3: 4.41751
  Sterimol/B4: 5.28829  Sterimol/L: 12.155 
 
 Surface and Volume Properties
  Accessible surface: 446.838  Positive charged surface: 261.018  Negative charged surface: 185.82  Volume: 230.25
  Hydrophobic surface: 370.373  Hydrophilic surface: 76.465
 
 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.