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CHEMBRIDGE-ZINC02168379

 MMsINC code: MMs00703313
Type: Neutral
Formula: C7H15O4P
SMILES:   P(OCC)(OCC)(=O)CC1OC1
InChI:   InChI=1/C7H15O4P/c1-3-10-12(8,11-4-2)6-7-5-9-7/h7H,3-6H2,1-2H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=15.0899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.55728  SlogP: 0.5811  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0905173  Sterimol/B1: 2.11463  Sterimol/B2: 2.56612  Sterimol/B3: 4.06487
  Sterimol/B4: 7.9499  Sterimol/L: 12.3381 
 
 Surface and Volume Properties
  Accessible surface: 419.76  Positive charged surface: 271.22  Negative charged surface: 148.54  Volume: 183.875
  Hydrophobic surface: 311.496  Hydrophilic surface: 108.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.