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APOLLO-ZINC02567800

 MMsINC code: MMs00054337
Type: Neutral
Formula: C15H9BrFNO2
SMILES:   Brc1cc(F)c(cc1)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C15H9BrFNO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=35.6297 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: 0.130942  Sterimol/B1: 3.1588  Sterimol/B2: 4.01299  Sterimol/B3: 4.69377
  Sterimol/B4: 4.90962  Sterimol/L: 14.3284 
 
 Surface and Volume Properties
  Accessible surface: 490.085  Positive charged surface: 209.931  Negative charged surface: 280.154  Volume: 257.5
  Hydrophobic surface: 416.391  Hydrophilic surface: 73.694
 
 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.