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PUBCHEM-ZINC05446504

 MMsINC code: MMs03272359
Type: Neutral
Formula: C17H11BrFNO3
SMILES:   Brc1ccc(cc1)C(=O)C1C(NC(=O)C1=O)c1ccc(F)cc1
InChI:   InChI=1/C17H11BrFNO3/c18-11-5-1-10(2-6-11)15(21)13-14(20-17(23)16(13)22)9-3-7-12(19)8-4-9/h1-8,13-14H,(H,20,23)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=72.5542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.181 g/mol  logS: -5.2523  SlogP: 2.9228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253213  Sterimol/B1: 2.31118  Sterimol/B2: 4.63136  Sterimol/B3: 5.36146
  Sterimol/B4: 5.93117  Sterimol/L: 14.4009 
 
 Surface and Volume Properties
  Accessible surface: 507.016  Positive charged surface: 208.314  Negative charged surface: 298.702  Volume: 290.5
  Hydrophobic surface: 368.898  Hydrophilic surface: 138.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.