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ASINEX-ZINC03263884

 MMsINC code: MMs00288434
Type: Neutral
Formula: C10H12FNO4S2
SMILES:   S(=O)(=O)(NC1CCS(=O)(=O)C1)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7H2/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.339 g/mol  logS: -1.97962  SlogP: 0.2911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155409  Sterimol/B1: 2.54907  Sterimol/B2: 4.39117  Sterimol/B3: 4.78073
  Sterimol/B4: 5.19303  Sterimol/L: 12.1351 
 
 Surface and Volume Properties
  Accessible surface: 443.776  Positive charged surface: 200.283  Negative charged surface: 243.493  Volume: 226.625
  Hydrophobic surface: 286.768  Hydrophilic surface: 157.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.