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ENAMINE-ZINC06603064

 MMsINC code: MMs01684332
Type: Neutral
Formula: C13H9BrClFN2O3
SMILES:   Brc1oc(cc1)C(=O)NCC(=O)Nc1cc(Cl)c(F)cc1
InChI:   InChI=1/C13H9BrClFN2O3/c14-11-4-3-10(21-11)13(20)17-6-12(19)18-7-1-2-9(16)8(15)5-7/h1-5H,6H2,(H,17,20)(H,18,19)

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Potential Energy
Epot(MMFF94)=52.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.581 g/mol  logS: -5.70993  SlogP: 3.2031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015912  Sterimol/B1: 2.13332  Sterimol/B2: 3.83938  Sterimol/B3: 4.65856
  Sterimol/B4: 4.85742  Sterimol/L: 17.6535 
 
 Surface and Volume Properties
  Accessible surface: 556.158  Positive charged surface: 219.017  Negative charged surface: 337.141  Volume: 273.5
  Hydrophobic surface: 449.969  Hydrophilic surface: 106.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.