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MAYBRIDGE-ZINC00080627

 MMsINC code: MMs02128838
Type: Neutral
Formula: C9H9F3N2O2S
SMILES:   s1cc(C)c(C(=O)NC)c1NC(=O)C(F)(F)F
InChI:   InChI=1/C9H9F3N2O2S/c1-4-3-17-7(5(4)6(15)13-2)14-8(16)9(10,11)12/h3H,1-2H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=68.3298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.243 g/mol  logS: -2.94157  SlogP: 2.33682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665463  Sterimol/B1: 2.90073  Sterimol/B2: 3.23341  Sterimol/B3: 3.76284
  Sterimol/B4: 6.55138  Sterimol/L: 11.9509 
 
 Surface and Volume Properties
  Accessible surface: 438.747  Positive charged surface: 200.821  Negative charged surface: 237.926  Volume: 205.75
  Hydrophobic surface: 243.115  Hydrophilic surface: 195.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.