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PUBCHEM-ZINC05650822

 MMsINC code: MMs03337132
Type: Neutral
Formula: C4H9O3P
SMILES:   P1(OCCO1)OCC
InChI:   InChI=1/C4H9O3P/c1-2-5-8-6-3-4-7-8/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.65586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.087 g/mol  logS: -0.49147  SlogP: 1.2966  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0752743  Sterimol/B1: 2.54639  Sterimol/B2: 2.62557  Sterimol/B3: 3.21675
  Sterimol/B4: 3.47816  Sterimol/L: 10.6234 
 
 Surface and Volume Properties
  Accessible surface: 313.738  Positive charged surface: 253.045  Negative charged surface: 60.6934  Volume: 120.25
  Hydrophobic surface: 225.147  Hydrophilic surface: 88.591
 
 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.