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MAYBRIDGE-ZINC04350996

 MMsINC code: MMs02170474
Type: Neutral
Formula: C15H11ClF3NO3S
SMILES:   Clc1ccc(S(=O)(=NC(=O)c2ccc(OC(F)(F)F)cc2)C)cc1
InChI:   InChI=1/C15H11ClF3NO3S/c1-24(22,13-8-4-11(16)5-9-13)20-14(21)10-2-6-12(7-3-10)23-15(17,18)19/h2-9H,1H3/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=82.7728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.77 g/mol  logS: -5.54507  SlogP: 5.0607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496357  Sterimol/B1: 2.41047  Sterimol/B2: 2.45081  Sterimol/B3: 4.38985
  Sterimol/B4: 8.53862  Sterimol/L: 15.7555 
 
 Surface and Volume Properties
  Accessible surface: 558.247  Positive charged surface: 193.362  Negative charged surface: 364.885  Volume: 291.625
  Hydrophobic surface: 380.711  Hydrophilic surface: 177.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 1  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.