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PUBCHEM-ZINC06439431

 MMsINC code: MMs03729974
Type: Neutral
Formula: C11H27NO6P2
SMILES:   P(OCC)(OCC)(=O)C(NC)CP(OCC)(OCC)=O
InChI:   InChI=1/C11H27NO6P2/c1-6-15-19(13,16-7-2)10-11(12-5)20(14,17-8-3)18-9-4/h11-12H,6-10H2,1-5H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=45.7887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.286 g/mol  logS: -0.58873  SlogP: 0.9237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242887  Sterimol/B1: 3.03321  Sterimol/B2: 3.44051  Sterimol/B3: 6.50639
  Sterimol/B4: 6.96583  Sterimol/L: 14.4709 
 
 Surface and Volume Properties
  Accessible surface: 615.876  Positive charged surface: 463.205  Negative charged surface: 152.671  Volume: 308.5
  Hydrophobic surface: 454.499  Hydrophilic surface: 161.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.