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ENAMINE-ZINC03426811

 MMsINC code: MMs01435057
Type: Neutral
Formula: C10H6F2N2O4S
SMILES:   S(=O)(=O)(N1C=C(F)C(=O)NC1=O)c1ccc(F)cc1
InChI:   InChI=1/C10H6F2N2O4S/c11-6-1-3-7(4-2-6)19(17,18)14-5-8(12)9(15)13-10(14)16/h1-5H,(H,13,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.0924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.23 g/mol  logS: -3.03823  SlogP: 0.986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158041  Sterimol/B1: 2.82675  Sterimol/B2: 2.92877  Sterimol/B3: 4.754
  Sterimol/B4: 5.00838  Sterimol/L: 12.4781 
 
 Surface and Volume Properties
  Accessible surface: 416.763  Positive charged surface: 171.528  Negative charged surface: 245.235  Volume: 206
  Hydrophobic surface: 248.503  Hydrophilic surface: 168.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.