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PUBCHEM-ZINC05409875

 MMsINC code: MMs03260178
Type: Neutral
Formula: C3H4BrO6P
SMILES:   Br\C=C(/OP(O)(O)=O)\C(O)=O
InChI:   InChI=1/C3H4BrO6P/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H2,7,8,9)/b2-1-

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Potential Energy
Epot(MMFF94)=-50.8081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.937 g/mol  logS: -0.48129  SlogP: -0.5447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706418  Sterimol/B1: 2.70361  Sterimol/B2: 3.05929  Sterimol/B3: 3.74925
  Sterimol/B4: 5.21213  Sterimol/L: 9.74899 
 
 Surface and Volume Properties
  Accessible surface: 338.446  Positive charged surface: 125.111  Negative charged surface: 213.336  Volume: 143.375
  Hydrophobic surface: 117.557  Hydrophilic surface: 220.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03260179
PUBCHEM-ZINC05409875