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PUBCHEM-ZINC04800485

 MMsINC code: MMs03173304
Type: Neutral
Formula: C15H32NO4P
SMILES:   P(OCCCC)(OCCCC)(=O)C(C(=O)N(CC)CC)C
InChI:   InChI=1/C15H32NO4P/c1-6-10-12-19-21(18,20-13-11-7-2)14(5)15(17)16(8-3)9-4/h14H,6-13H2,1-5H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=4.76136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.398 g/mol  logS: -2.74799  SlogP: 2.9996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765008  Sterimol/B1: 2.05333  Sterimol/B2: 3.67036  Sterimol/B3: 3.8757
  Sterimol/B4: 11.3493  Sterimol/L: 15.8444 
 
 Surface and Volume Properties
  Accessible surface: 646.06  Positive charged surface: 479.337  Negative charged surface: 166.723  Volume: 336.75
  Hydrophobic surface: 496.863  Hydrophilic surface: 149.197
 
 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.