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NCID-ZINC04972279

 MMsINC code: MMs02420975
Type: Neutral
Formula: C14H27O7P
SMILES:   P(OCC)(OCC)(=O)C(CCCC(OCC)=O)C(OCC)=O
InChI:   InChI=1/C14H27O7P/c1-5-18-13(15)11-9-10-12(14(16)19-6-2)22(17,20-7-3)21-8-4/h12H,5-11H2,1-4H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=12.0599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.337 g/mol  logS: -2.02202  SlogP: 1.8474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.157506  Sterimol/B1: 4.70056  Sterimol/B2: 4.99756  Sterimol/B3: 5.20859
  Sterimol/B4: 5.46163  Sterimol/L: 16.7788 
 
 Surface and Volume Properties
  Accessible surface: 629.675  Positive charged surface: 457.958  Negative charged surface: 171.717  Volume: 322.75
  Hydrophobic surface: 452.308  Hydrophilic surface: 177.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.