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PUBCHEM-ZINC06387536

 MMsINC code: MMs03700808
Type: Neutral
Formula: C16H32NO8P
SMILES:   P(OCC)(=O)(C(OCC)COC)CN(CCCC(OC)=O)C(OCC)=O
InChI:   InChI=1/C16H32NO8P/c1-6-23-15(12-21-4)26(20,25-8-3)13-17(16(19)24-7-2)11-9-10-14(18)22-5/h15H,6-13H2,1-5H3/t15-,26+/m0/s1

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Potential Energy
Epot(MMFF94)=40.0191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.405 g/mol  logS: -0.84522  SlogP: 1.609  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.192305  Sterimol/B1: 2.13696  Sterimol/B2: 4.59789  Sterimol/B3: 5.49356
  Sterimol/B4: 11.5793  Sterimol/L: 17.0263 
 
 Surface and Volume Properties
  Accessible surface: 688.847  Positive charged surface: 550.403  Negative charged surface: 138.444  Volume: 381.25
  Hydrophobic surface: 537.25  Hydrophilic surface: 151.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.