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NCID-ZINC01705224

 MMsINC code: MMs02333844
Type: Neutral
Formula: C7H15O4P
SMILES:   P1(OCC(CO1)(C)C)(OCC)=O
InChI:   InChI=1/C7H15O4P/c1-4-9-12(8)10-5-7(2,3)6-11-12/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.71443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.9473  SlogP: 1.1338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118077  Sterimol/B1: 3.00885  Sterimol/B2: 3.43824  Sterimol/B3: 3.77417
  Sterimol/B4: 4.71397  Sterimol/L: 12.376 
 
 Surface and Volume Properties
  Accessible surface: 385.94  Positive charged surface: 273.134  Negative charged surface: 112.806  Volume: 174.75
  Hydrophobic surface: 268.866  Hydrophilic surface: 117.074
 
 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.