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NCID-ZINC05007938

 MMsINC code: MMs02427241
Type: Neutral
Formula: C7H5Br2NO3
SMILES:   Brc1cc(Br)cc(C(=O)NO)c1O
InChI:   InChI=1/C7H5Br2NO3/c8-3-1-4(7(12)10-13)6(11)5(9)2-3/h1-2,11,13H,(H,10,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.929 g/mol  logS: -3.25922  SlogP: 2.0362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00611236  Sterimol/B1: 2.28218  Sterimol/B2: 2.35137  Sterimol/B3: 4.45325
  Sterimol/B4: 5.39595  Sterimol/L: 11.677 
 
 Surface and Volume Properties
  Accessible surface: 394.611  Positive charged surface: 124.197  Negative charged surface: 270.414  Volume: 189.125
  Hydrophobic surface: 244.104  Hydrophilic surface: 150.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.