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PUBCHEM-ZINC05760899

 MMsINC code: MMs03374120
Type: Neutral
Formula: C16H29NO6P2S
SMILES:   S(P(Oc1ccccc1)(OC)=O)CCN(P(OC(C)C)(OC(C)C)=O)C
InChI:   InChI=1/C16H29NO6P2S/c1-14(2)21-24(18,22-15(3)4)17(5)12-13-26-25(19,20-6)23-16-10-8-7-9-11-16/h7-11,14-15H,12-13H2,1-6H3/t25-/m0/s1

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Potential Energy
Epot(MMFF94)=14.5339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.423 g/mol  logS: -3.51981  SlogP: 3.3026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718977  Sterimol/B1: 2.36832  Sterimol/B2: 3.00754  Sterimol/B3: 4.37388
  Sterimol/B4: 9.40891  Sterimol/L: 17.153 
 
 Surface and Volume Properties
  Accessible surface: 652.624  Positive charged surface: 404.317  Negative charged surface: 248.307  Volume: 389.25
  Hydrophobic surface: 478.452  Hydrophilic surface: 174.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.