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ENAMINE-ZINC02620210

 MMsINC code: MMs01254826
Type: Neutral
Formula: C14H10FNO4S4
SMILES:   s1cccc1S(=O)(=O)N(S(=O)(=O)c1sccc1)c1cc(F)ccc1
InChI:   InChI=1/C14H10FNO4S4/c15-11-4-1-5-12(10-11)16(23(17,18)13-6-2-8-21-13)24(19,20)14-7-3-9-22-14/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.499 g/mol  logS: -5.21268  SlogP: 3.5329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890802  Sterimol/B1: 3.2227  Sterimol/B2: 3.62425  Sterimol/B3: 4.49916
  Sterimol/B4: 8.23935  Sterimol/L: 14.7244 
 
 Surface and Volume Properties
  Accessible surface: 524.402  Positive charged surface: 179.754  Negative charged surface: 344.648  Volume: 303.75
  Hydrophobic surface: 437.501  Hydrophilic surface: 86.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.