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CHEMSTAR-ZINC03099597

 MMsINC code: MMs01083246
Type: Neutral
Formula: C15H9BrFNO2
SMILES:   Brc1cc2c(cc1)C(=O)N(Cc1ccc(F)cc1)C2=O
InChI:   InChI=1/C15H9BrFNO2/c16-10-3-6-12-13(7-10)15(20)18(14(12)19)8-9-1-4-11(17)5-2-9/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=33.7437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.144 g/mol  logS: -5.088  SlogP: 3.6508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12557  Sterimol/B1: 2.72363  Sterimol/B2: 3.67604  Sterimol/B3: 4.00995
  Sterimol/B4: 5.2678  Sterimol/L: 14.5816 
 
 Surface and Volume Properties
  Accessible surface: 487.118  Positive charged surface: 200.488  Negative charged surface: 286.63  Volume: 257.125
  Hydrophobic surface: 410.503  Hydrophilic surface: 76.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.