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CHEMBRIDGE-ZINC01107003

 MMsINC code: MMs00660729
Type: Neutral
Formula: C15H14BrClN2O3
SMILES:   Brc1oc(cc1)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl
InChI:   InChI=1/C15H14BrClN2O3/c1-2-3-14(20)18-9-4-5-10(17)11(8-9)19-15(21)12-6-7-13(16)22-12/h4-8H,2-3H2,1H3,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=63.2023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.645 g/mol  logS: -6.16882  SlogP: 4.6864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190426  Sterimol/B1: 2.81622  Sterimol/B2: 2.8864  Sterimol/B3: 3.13323
  Sterimol/B4: 7.30201  Sterimol/L: 19.4828 
 
 Surface and Volume Properties
  Accessible surface: 594.34  Positive charged surface: 283.056  Negative charged surface: 311.284  Volume: 305.5
  Hydrophobic surface: 485.202  Hydrophilic surface: 109.138
 
 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.