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AURORAFEINCHEMIE-ZINC02406461

 MMsINC code: MMs00453130
Type: Neutral
Formula: C7H8Br2N2O5
SMILES:   BrC1(Br)C(O)N(CCC(O)=O)C(=O)NC1=O
InChI:   InChI=1/C7H8Br2N2O5/c8-7(9)4(14)10-6(16)11(5(7)15)2-1-3(12)13/h5,15H,1-2H2,(H,12,13)(H,10,14,16)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.93307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.958 g/mol  logS: -1.83346  SlogP: 0.2373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128858  Sterimol/B1: 2.59104  Sterimol/B2: 4.1956  Sterimol/B3: 4.3162
  Sterimol/B4: 5.00834  Sterimol/L: 12.5316 
 
 Surface and Volume Properties
  Accessible surface: 426.525  Positive charged surface: 164.411  Negative charged surface: 262.114  Volume: 216.25
  Hydrophobic surface: 64.7309  Hydrophilic surface: 361.7941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00453131
AURORAFEINCHEMIE-ZINC02406461