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CHEMBLOCK-ZINC04558387

 MMsINC code: MMs00557072
Type: Neutral
Formula: C10H10F4N2O2S
SMILES:   s1cc(nc1NC(=O)C(F)(OC)C(F)(F)F)C1CC1
InChI:   InChI=1/C10H10F4N2O2S/c1-18-9(11,10(12,13)14)7(17)16-8-15-6(4-19-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,15,16,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=74.4945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.26 g/mol  logS: -3.27851  SlogP: 3.6733  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454863  Sterimol/B1: 2.09427  Sterimol/B2: 3.02053  Sterimol/B3: 3.61457
  Sterimol/B4: 5.84832  Sterimol/L: 14.2366 
 
 Surface and Volume Properties
  Accessible surface: 470.209  Positive charged surface: 222.162  Negative charged surface: 248.047  Volume: 223.25
  Hydrophobic surface: 253.135  Hydrophilic surface: 217.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.