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CHEMDIV-ZINC00427265

 MMsINC code: MMs00852132
Type: Neutral
Formula: C13H13FN2O3S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)C
InChI:   InChI=1/C13H13FN2O3S2/c1-16(21(18,19)13-3-2-8-20-13)9-12(17)15-11-6-4-10(14)5-7-11/h2-8H,9H2,1H3,(H,15,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.388 g/mol  logS: -3.55486  SlogP: 2.1464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767782  Sterimol/B1: 2.19884  Sterimol/B2: 2.40566  Sterimol/B3: 5.06751
  Sterimol/B4: 6.00144  Sterimol/L: 17.2614 
 
 Surface and Volume Properties
  Accessible surface: 529.34  Positive charged surface: 265.276  Negative charged surface: 264.064  Volume: 274.75
  Hydrophobic surface: 438.241  Hydrophilic surface: 91.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.