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PUBCHEM-ZINC05973697

 MMsINC code: MMs03469303
Type: Neutral
Formula: C4H11O3P
SMILES:   P(OCCCC)(O)O
InChI:   InChI=1/C4H11O3P/c1-2-3-4-7-8(5)6/h5-6H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.3686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.103 g/mol  logS: -0.36926  SlogP: 1.0146  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0626659  Sterimol/B1: 2.57257  Sterimol/B2: 2.88356  Sterimol/B3: 3.16187
  Sterimol/B4: 3.29379  Sterimol/L: 11.8545 
 
 Surface and Volume Properties
  Accessible surface: 336.545  Positive charged surface: 251.078  Negative charged surface: 85.4677  Volume: 127
  Hydrophobic surface: 170.077  Hydrophilic surface: 166.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.