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PUBCHEM-ZINC03633770

 MMsINC code: MMs03028549
Type: Neutral
Formula: C14H30NO4P
SMILES:   P(OC(CN1CCCCC1)C)(OCCC)(OCCC)=O
InChI:   InChI=1/C14H30NO4P/c1-4-11-17-20(16,18-12-5-2)19-14(3)13-15-9-7-6-8-10-15/h14H,4-13H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.00305363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.371 g/mol  logS: -1.90315  SlogP: 2.7685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744681  Sterimol/B1: 2.43648  Sterimol/B2: 3.27849  Sterimol/B3: 4.42071
  Sterimol/B4: 9.26235  Sterimol/L: 17.2067 
 
 Surface and Volume Properties
  Accessible surface: 596.89  Positive charged surface: 441.946  Negative charged surface: 154.944  Volume: 314.625
  Hydrophobic surface: 478.962  Hydrophilic surface: 117.928
 
 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


MMs03028550
PUBCHEM-ZINC03633770