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PUBCHEM-ZINC02745458

 MMsINC code: MMs02915378
Type: Neutral
Formula: C16H18F2N2O4S2
SMILES:   S(=O)(=O)(NCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChI:   InChI=1/C16H18F2N2O4S2/c17-13-3-7-15(8-4-13)25(21,22)19-11-1-2-12-20-26(23,24)16-9-5-14(18)6-10-16/h3-10,19-20H,1-2,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.57649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.458 g/mol  logS: -3.84868  SlogP: 2.0018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967292  Sterimol/B1: 2.36536  Sterimol/B2: 4.19955  Sterimol/B3: 4.7981
  Sterimol/B4: 6.3846  Sterimol/L: 16.8548 
 
 Surface and Volume Properties
  Accessible surface: 634.001  Positive charged surface: 311.093  Negative charged surface: 322.907  Volume: 329
  Hydrophobic surface: 468.394  Hydrophilic surface: 165.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.