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ENAMINE-ZINC01255243

 MMsINC code: MMs01239429
Type: Neutral
Formula: C16H10F2N2O4S2
SMILES:   S1\C(=C\c2occc2)\C(=O)N(NC(=O)c2ccc(OC(F)F)cc2)C1=S
InChI:   InChI=1/C16H10F2N2O4S2/c17-15(18)24-10-5-3-9(4-6-10)13(21)19-20-14(22)12(26-16(20)25)8-11-2-1-7-23-11/h1-8,15H,(H,19,21)/b12-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.394 g/mol  logS: -6.17616  SlogP: 3.8471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563273  Sterimol/B1: 2.37107  Sterimol/B2: 3.58265  Sterimol/B3: 3.739
  Sterimol/B4: 8.99773  Sterimol/L: 17.559 
 
 Surface and Volume Properties
  Accessible surface: 597.479  Positive charged surface: 237.31  Negative charged surface: 360.169  Volume: 311.25
  Hydrophobic surface: 335.426  Hydrophilic surface: 262.053
 
 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.