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IFLAB-ZINC04853882

 MMsINC code: MMs02066446
Type: Neutral
Formula: C19H19FN2O2S2
SMILES:   s1c(ccc1S(=O)(=O)N1CCn2c(ccc2)C1c1ccccc1F)CC
InChI:   InChI=1/C19H19FN2O2S2/c1-2-14-9-10-18(25-14)26(23,24)22-13-12-21-11-5-8-17(21)19(22)15-6-3-4-7-16(15)20/h3-11,19H,2,12-13H2,1H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=48.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.503 g/mol  logS: -4.24838  SlogP: 4.40687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132545  Sterimol/B1: 4.1428  Sterimol/B2: 4.1724  Sterimol/B3: 4.59309
  Sterimol/B4: 6.81759  Sterimol/L: 16.6291 
 
 Surface and Volume Properties
  Accessible surface: 588.815  Positive charged surface: 329.693  Negative charged surface: 259.122  Volume: 344.25
  Hydrophobic surface: 487.418  Hydrophilic surface: 101.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.