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ACROSORGANICS-ZINC02166876

 MMsINC code: MMs00013027
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)CC(=O)C
InChI:   InChI=1/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3

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Potential Energy
Epot(MMFF94)=5.22871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: 0.04991  SlogP: -0.0089  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0765025  Sterimol/B1: 2.8644  Sterimol/B2: 3.49205  Sterimol/B3: 3.77169
  Sterimol/B4: 4.18634  Sterimol/L: 10.6079 
 
 Surface and Volume Properties
  Accessible surface: 351.387  Positive charged surface: 259.251  Negative charged surface: 92.1362  Volume: 147.625
  Hydrophobic surface: 279.375  Hydrophilic surface: 72.012
 
 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.