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ENAMINE-ZINC06880782

 MMsINC code: MMs01709072
Type: Neutral
Formula: C11H6BrClFNO2
SMILES:   Brc1oc(cc1)C(=O)Nc1cccc(Cl)c1F
InChI:   InChI=1/C11H6BrClFNO2/c12-9-5-4-8(17-9)11(16)15-7-3-1-2-6(13)10(7)14/h1-5H,(H,15,16)

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Potential Energy
Epot(MMFF94)=46.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.529 g/mol  logS: -5.53736  SlogP: 4.0869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109998  Sterimol/B1: 2.49414  Sterimol/B2: 2.56313  Sterimol/B3: 2.82591
  Sterimol/B4: 5.75575  Sterimol/L: 14.4697 
 
 Surface and Volume Properties
  Accessible surface: 463.512  Positive charged surface: 156.853  Negative charged surface: 306.659  Volume: 226.25
  Hydrophobic surface: 414.098  Hydrophilic surface: 49.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.