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PUBCHEM-ZINC03631468

 MMsINC code: MMs03027692
Type: Neutral
Formula: C13H28NO4P
SMILES:   P(OC(C)C)(OC(C)C)(OCCN1CCCCC1)=O
InChI:   InChI=1/C13H28NO4P/c1-12(2)17-19(15,18-13(3)4)16-11-10-14-8-6-5-7-9-14/h12-13H,5-11H2,1-4H3

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Potential Energy
Epot(MMFF94)=5.33286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.344 g/mol  logS: -1.82682  SlogP: 2.3768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193629  Sterimol/B1: 3.22022  Sterimol/B2: 3.6087  Sterimol/B3: 4.72526
  Sterimol/B4: 7.06263  Sterimol/L: 13.6845 
 
 Surface and Volume Properties
  Accessible surface: 543.373  Positive charged surface: 411.964  Negative charged surface: 131.41  Volume: 297.125
  Hydrophobic surface: 430.507  Hydrophilic surface: 112.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03027693
PUBCHEM-ZINC03631468