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DSC-ZINC02513219

 MMsINC code: MMs01221702
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-/m0/s1

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Potential Energy
Epot(MMFF94)=9.42579 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: 0.0885136  Sterimol/B1: 3.10292  Sterimol/B2: 3.48673  Sterimol/B3: 5.39725
  Sterimol/B4: 5.79108  Sterimol/L: 12.8332 
 
 Surface and Volume Properties
  Accessible surface: 446.023  Positive charged surface: 327.46  Negative charged surface: 118.563  Volume: 216.5
  Hydrophobic surface: 307.638  Hydrophilic surface: 138.385
 
 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.