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ENAMINE-ZINC03183694

 MMsINC code: MMs01298604
Type: Neutral
Formula: C20H18F2N2O3S2
SMILES:   S(C(F)F)c1ccc(cc1)-c1oc(cc1)\C=N\CCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C20H18F2N2O3S2/c21-20(22)28-17-6-3-15(4-7-17)19-10-5-16(27-19)13-24-12-11-14-1-8-18(9-2-14)29(23,25)26/h1-10,13,20H,11-12H2,(H2,23,25,26)/b24-13+

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Potential Energy
Epot(MMFF94)=56.4319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.503 g/mol  logS: -6.79376  SlogP: 4.99017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140955  Sterimol/B1: 2.48217  Sterimol/B2: 3.92832  Sterimol/B3: 4.56042
  Sterimol/B4: 5.46889  Sterimol/L: 23.6141 
 
 Surface and Volume Properties
  Accessible surface: 704.403  Positive charged surface: 358.421  Negative charged surface: 345.982  Volume: 372.5
  Hydrophobic surface: 434.245  Hydrophilic surface: 270.158
 
 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


MMs01298605
ENAMINE-ZINC03183694