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ACROSORGANICS-ZINC01641077

 MMsINC code: MMs00010091
Type: Neutral
Formula: C6H15O4P
SMILES:   P(OCC)(OCC)(OCC)=O
InChI:   InChI=1/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

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Potential Energy
Epot(MMFF94)=-15.4948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.156 g/mol  logS: -0.84757  SlogP: 1.1338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117748  Sterimol/B1: 2.12157  Sterimol/B2: 3.06896  Sterimol/B3: 3.83247
  Sterimol/B4: 7.36053  Sterimol/L: 12.2879 
 
 Surface and Volume Properties
  Accessible surface: 409.608  Positive charged surface: 283.938  Negative charged surface: 125.67  Volume: 171.25
  Hydrophobic surface: 280.977  Hydrophilic surface: 128.631
 
 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.