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IFLAB-ZINC04106055

 MMsINC code: MMs02016274
Type: Neutral
Formula: C18H13F2N3O2S
SMILES:   S1(=O)Cc2c(nn(-c3ccc(F)cc3)c2NC(=O)c2ccccc2F)C1
InChI:   InChI=1/C18H13F2N3O2S/c19-11-5-7-12(8-6-11)23-17(14-9-26(25)10-16(14)22-23)21-18(24)13-3-1-2-4-15(13)20/h1-8H,9-10H2,(H,21,24)/t26-/m0/s1

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Potential Energy
Epot(MMFF94)=130.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.383 g/mol  logS: -4.91953  SlogP: 3.6979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0570527  Sterimol/B1: 2.71139  Sterimol/B2: 3.4098  Sterimol/B3: 5.76063
  Sterimol/B4: 8.75111  Sterimol/L: 13.5614 
 
 Surface and Volume Properties
  Accessible surface: 566.03  Positive charged surface: 296.969  Negative charged surface: 269.062  Volume: 309.625
  Hydrophobic surface: 484.471  Hydrophilic surface: 81.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.