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PUBCHEM-ZINC05597927

 MMsINC code: MMs03318696
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(OCC)(=O)(CN(CCC(O)=O)CC)C
InChI:   InChI=1/C9H20NO4P/c1-4-10(7-6-9(11)12)8-15(3,13)14-5-2/h4-8H2,1-3H3,(H,11,12)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=41.6654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: 0.50761  SlogP: 0.6147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0798613  Sterimol/B1: 2.36827  Sterimol/B2: 3.11593  Sterimol/B3: 3.60602
  Sterimol/B4: 7.91028  Sterimol/L: 13.9683 
 
 Surface and Volume Properties
  Accessible surface: 471.487  Positive charged surface: 327.083  Negative charged surface: 144.404  Volume: 228.25
  Hydrophobic surface: 281.747  Hydrophilic surface: 189.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03318697
PUBCHEM-ZINC05597927