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ENAMINE-ZINC05413818

 MMsINC code: MMs01610272
Type: Neutral
Formula: C9H5F6NO3S2
SMILES:   S(=O)(C(F)(F)F)c1cc(cc(S(=O)C(F)(F)F)c1)C(=O)N
InChI:   InChI=1/C9H5F6NO3S2/c10-8(11,12)20(18)5-1-4(7(16)17)2-6(3-5)21(19)9(13,14)15/h1-3H,(H2,16,17)/t20-,21-/m1/s1

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Potential Energy
Epot(MMFF94)=76.1768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.263 g/mol  logS: -4.49524  SlogP: 2.8801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111212  Sterimol/B1: 3.06571  Sterimol/B2: 4.03219  Sterimol/B3: 4.61633
  Sterimol/B4: 5.80013  Sterimol/L: 12.1424 
 
 Surface and Volume Properties
  Accessible surface: 455.7  Positive charged surface: 147.241  Negative charged surface: 308.459  Volume: 223.625
  Hydrophobic surface: 53.6924  Hydrophilic surface: 402.0076
 
 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.