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PUBCHEM-ZINC03633768

 MMsINC code: MMs03028545
Type: Neutral
Formula: C14H30NO4P
SMILES:   P(OC(CN1CCCCC1)C)(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C14H30NO4P/c1-12(2)17-20(16,18-13(3)4)19-14(5)11-15-9-7-6-8-10-15/h12-14H,6-11H2,1-5H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=13.8504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.371 g/mol  logS: -2.15403  SlogP: 2.7653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977277  Sterimol/B1: 2.64297  Sterimol/B2: 2.84872  Sterimol/B3: 4.45085
  Sterimol/B4: 7.22085  Sterimol/L: 15.8692 
 
 Surface and Volume Properties
  Accessible surface: 569.016  Positive charged surface: 413.912  Negative charged surface: 155.104  Volume: 314
  Hydrophobic surface: 434.75  Hydrophilic surface: 134.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03028546
PUBCHEM-ZINC03633768