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ENAMINE-ZINC03166858

 MMsINC code: MMs01292933
Type: Neutral
Formula: C23H18FN3O6S2
SMILES:   S1\C(=C\c2ccc(F)cc2)\C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCc3occc3)
cc2)C1=O
InChI:   InChI=1/C23H18FN3O6S2/c24-16-5-3-15(4-6-16)12-20-22(29)27(23(30)34-20)14-21(28)26-17-7-9-19(10-8-17)35(31,32)25-13-18-2-1-11-33-18/h1-12,25H,13-14H2,(H,26,28)/b20-12-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.5404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 515.542 g/mol  logS: -6.63353  SlogP: 3.8386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457942  Sterimol/B1: 2.28172  Sterimol/B2: 3.79021  Sterimol/B3: 5.91336
  Sterimol/B4: 6.1334  Sterimol/L: 24.9945 
 
 Surface and Volume Properties
  Accessible surface: 774.615  Positive charged surface: 354.363  Negative charged surface: 420.251  Volume: 426
  Hydrophobic surface: 525.754  Hydrophilic surface: 248.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.