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CHEMSTAR-ZINC04132965

 MMsINC code: MMs01108405
Type: Neutral
Formula: C24H15BrFNO2
SMILES:   BrC12C3C(C(c4c1cccc4)c1c2cccc1)C(=O)N(C3=O)c1ccc(F)cc1
InChI:   InChI=1/C24H15BrFNO2/c25-24-17-7-3-1-5-15(17)19(16-6-2-4-8-18(16)24)20-21(24)23(29)27(22(20)28)14-11-9-13(26)10-12-14/h1-12,19-21H/t19-,20-,21+,24-/m0/s1

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Potential Energy
Epot(MMFF94)=120.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.291 g/mol  logS: -6.63523  SlogP: 5.0404  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.169332  Sterimol/B1: 3.36016  Sterimol/B2: 3.82759  Sterimol/B3: 6.16476
  Sterimol/B4: 6.18756  Sterimol/L: 16.1022 
 
 Surface and Volume Properties
  Accessible surface: 578.272  Positive charged surface: 268.949  Negative charged surface: 309.323  Volume: 360.875
  Hydrophobic surface: 470.551  Hydrophilic surface: 107.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.