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NCID-ZINC01729538

 MMsINC code: MMs02352646
Type: Neutral
Formula: C8H8Br2N2O2
SMILES:   Brc1cc(Br)cc(CNC(=O)N)c1O
InChI:   InChI=1/C8H8Br2N2O2/c9-5-1-4(3-12-8(11)14)7(13)6(10)2-5/h1-2,13H,3H2,(H3,11,12,14)

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Potential Energy
Epot(MMFF94)=-5.83586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.972 g/mol  logS: -3.29705  SlogP: 2.3519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102675  Sterimol/B1: 3.15227  Sterimol/B2: 3.23963  Sterimol/B3: 3.53899
  Sterimol/B4: 6.41129  Sterimol/L: 12.0083 
 
 Surface and Volume Properties
  Accessible surface: 435.207  Positive charged surface: 173.629  Negative charged surface: 261.578  Volume: 210.5
  Hydrophobic surface: 271.73  Hydrophilic surface: 163.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.