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ACROSORGANICS-ZINC01736750

 MMsINC code: MMs00011780
Type: Neutral
Formula: C5H11O5P
SMILES:   P(OC)(OC)(=O)CC(OC)=O
InChI:   InChI=1/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.112 g/mol  logS: -0.01955  SlogP: -0.4249  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0742552  Sterimol/B1: 3.0018  Sterimol/B2: 3.44906  Sterimol/B3: 3.90197
  Sterimol/B4: 4.48544  Sterimol/L: 11.6904 
 
 Surface and Volume Properties
  Accessible surface: 370.722  Positive charged surface: 291.66  Negative charged surface: 79.0624  Volume: 155.5
  Hydrophobic surface: 291.188  Hydrophilic surface: 79.534
 
 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.