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PUBCHEM-ZINC05134299

 MMsINC code: MMs03209252
Type: Neutral
Formula: C3H7O3P
SMILES:   [PH]1(OCCCO1)=O
InChI:   InChI=1/C3H7O3P/c4-7-5-2-1-3-6-7/h7H,1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.31705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.06 g/mol  logS: -0.57332  SlogP: -0.2572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.285346  Sterimol/B1: 2.57391  Sterimol/B2: 3.10154  Sterimol/B3: 3.62611
  Sterimol/B4: 3.62647  Sterimol/L: 8.43034 
 
 Surface and Volume Properties
  Accessible surface: 261.148  Positive charged surface: 156.739  Negative charged surface: 104.409  Volume: 100.125
  Hydrophobic surface: 179.708  Hydrophilic surface: 81.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.