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NCID-ZINC04429768

 MMsINC code: MMs02387732
Type: Neutral
Formula: C16H30NO7P
SMILES:   P1(OC(CCC)C(CO1)CC)(=O)N(CCOC(=O)C)CCOC(=O)C
InChI:   InChI=1/C16H30NO7P/c1-5-7-16-15(6-2)12-23-25(20,24-16)17(8-10-21-13(3)18)9-11-22-14(4)19/h15-16H,5-12H2,1-4H3/t15-,16+,25+/m0/s1

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Potential Energy
Epot(MMFF94)=14.2545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.39 g/mol  logS: -2.32711  SlogP: 1.6942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294177  Sterimol/B1: 2.90667  Sterimol/B2: 4.50116  Sterimol/B3: 5.37979
  Sterimol/B4: 8.43307  Sterimol/L: 14.3056 
 
 Surface and Volume Properties
  Accessible surface: 642.456  Positive charged surface: 455.927  Negative charged surface: 186.529  Volume: 357.125
  Hydrophobic surface: 498.475  Hydrophilic surface: 143.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.