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CHEMBLOCK-ZINC02190840

 MMsINC code: MMs00530166
Type: Neutral
Formula: C11H10BrF4NO2
SMILES:   Brc1cc(NC(=O)C(F)(OC)C(F)(F)F)ccc1C
InChI:   InChI=1/C11H10BrF4NO2/c1-6-3-4-7(5-8(6)12)17-9(18)10(13,19-2)11(14,15)16/h3-5H,1-2H3,(H,17,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=87.6023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.102 g/mol  logS: -4.44311  SlogP: 4.41032  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108478  Sterimol/B1: 3.50031  Sterimol/B2: 3.69791  Sterimol/B3: 4.29447
  Sterimol/B4: 4.54282  Sterimol/L: 12.974 
 
 Surface and Volume Properties
  Accessible surface: 477.152  Positive charged surface: 193.215  Negative charged surface: 283.937  Volume: 236.25
  Hydrophobic surface: 328.3  Hydrophilic surface: 148.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.