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PUBCHEM-ZINC02004465

 MMsINC code: MMs02845221
Type: Neutral
Formula: C4H9O4P
SMILES:   P1(OCCO1)OCCO
InChI:   InChI=1/C4H9O4P/c5-1-2-6-9-7-3-4-8-9/h5H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.7265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.086 g/mol  logS: 0.03828  SlogP: 0.269  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0662369  Sterimol/B1: 2.54714  Sterimol/B2: 2.59028  Sterimol/B3: 3.41185
  Sterimol/B4: 3.58974  Sterimol/L: 10.5099 
 
 Surface and Volume Properties
  Accessible surface: 330.833  Positive charged surface: 275.653  Negative charged surface: 55.1805  Volume: 127.5
  Hydrophobic surface: 214.644  Hydrophilic surface: 116.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.