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PUBCHEM-ZINC05998009

 MMsINC code: MMs03482040
Type: Neutral
Formula: C5H10BrO4P
SMILES:   BrC(COP(OC)(OC)=O)=C
InChI:   InChI=1/C5H10BrO4P/c1-5(6)4-10-11(7,8-2)9-3/h1,4H2,2-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.40761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.009 g/mol  logS: -1.52125  SlogP: 1.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963919  Sterimol/B1: 2.30268  Sterimol/B2: 3.40955  Sterimol/B3: 3.76409
  Sterimol/B4: 5.74817  Sterimol/L: 11.5456 
 
 Surface and Volume Properties
  Accessible surface: 394.149  Positive charged surface: 217.738  Negative charged surface: 176.411  Volume: 176.25
  Hydrophobic surface: 292.595  Hydrophilic surface: 101.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.