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DSC-ZINC04352621

 MMsINC code: MMs01221836
Type: Neutral
Formula: C9H19O4P
SMILES:   P(OCC)(OCC)(=O)C(CCC)C=O
InChI:   InChI=1/C9H19O4P/c1-4-7-9(8-10)14(11,12-5-2)13-6-3/h8-9H,4-7H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=3.02375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.221 g/mol  logS: -1.34255  SlogP: 1.5499  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.191253  Sterimol/B1: 2.55357  Sterimol/B2: 4.43629  Sterimol/B3: 5.25304
  Sterimol/B4: 5.43069  Sterimol/L: 12.7753 
 
 Surface and Volume Properties
  Accessible surface: 459.133  Positive charged surface: 339.703  Negative charged surface: 119.431  Volume: 216.25
  Hydrophobic surface: 322.122  Hydrophilic surface: 137.011
 
 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.