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CHEMBRIDGE-ZINC01121160

 MMsINC code: MMs00664581
Type: Neutral
Formula: C15H15BrN2O3
SMILES:   Brc1oc(cc1)C(=O)Nc1ccccc1NC(=O)CCC
InChI:   InChI=1/C15H15BrN2O3/c1-2-5-14(19)17-10-6-3-4-7-11(10)18-15(20)12-8-9-13(16)21-12/h3-4,6-9H,2,5H2,1H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=65.4741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.2 g/mol  logS: -5.43453  SlogP: 4.033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189239  Sterimol/B1: 2.71273  Sterimol/B2: 3.15647  Sterimol/B3: 4.80803
  Sterimol/B4: 8.5243  Sterimol/L: 15.7713 
 
 Surface and Volume Properties
  Accessible surface: 571.461  Positive charged surface: 297.717  Negative charged surface: 273.744  Volume: 289.5
  Hydrophobic surface: 468.092  Hydrophilic surface: 103.369
 
 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.