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PUBCHEM-ZINC05998004

 MMsINC code: MMs03482037
Type: Neutral
Formula: C4H8ClO4P
SMILES:   ClC(OP(OC)(OC)=O)=C
InChI:   InChI=1/C4H8ClO4P/c1-4(5)9-10(6,7-2)8-3/h1H2,2-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.2519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.531 g/mol  logS: -1.12718  SlogP: 1.1526  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152332  Sterimol/B1: 2.2902  Sterimol/B2: 2.76414  Sterimol/B3: 3.76674
  Sterimol/B4: 5.58326  Sterimol/L: 10.8247 
 
 Surface and Volume Properties
  Accessible surface: 344.795  Positive charged surface: 192.187  Negative charged surface: 152.608  Volume: 147
  Hydrophobic surface: 257.007  Hydrophilic surface: 87.788
 
 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.