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CHEMBRIDGE-ZINC01108273

 MMsINC code: MMs00660853
Type: Neutral
Formula: C14H12BrClN2O3
SMILES:   Brc1oc(cc1)C(=O)Nc1cc(NC(=O)CC)ccc1Cl
InChI:   InChI=1/C14H12BrClN2O3/c1-2-13(19)17-8-3-4-9(16)10(7-8)18-14(20)11-5-6-12(15)21-11/h3-7H,2H2,1H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=63.2733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.618 g/mol  logS: -5.6536  SlogP: 4.2963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021199  Sterimol/B1: 2.53341  Sterimol/B2: 3.03077  Sterimol/B3: 3.41599
  Sterimol/B4: 6.97154  Sterimol/L: 18.148 
 
 Surface and Volume Properties
  Accessible surface: 571.154  Positive charged surface: 257.569  Negative charged surface: 313.585  Volume: 286.875
  Hydrophobic surface: 460.211  Hydrophilic surface: 110.943
 
 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.