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PUBCHEM-ZINC05973057

 MMsINC code: MMs03468561
Type: Neutral
Formula: C9H22NO4P
SMILES:   P(OCCCCCC)(OCCNC)(O)=O
InChI:   InChI=1/C9H22NO4P/c1-3-4-5-6-8-13-15(11,12)14-9-7-10-2/h10H,3-9H2,1-2H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=-35.3123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.252 g/mol  logS: -1.36234  SlogP: 0.8495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283152  Sterimol/B1: 2.70738  Sterimol/B2: 3.38649  Sterimol/B3: 3.7003
  Sterimol/B4: 5.79255  Sterimol/L: 17.9408 
 
 Surface and Volume Properties
  Accessible surface: 525.788  Positive charged surface: 419.567  Negative charged surface: 106.221  Volume: 234.875
  Hydrophobic surface: 387.773  Hydrophilic surface: 138.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.