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IBS-ZINC02412485

 MMsINC code: MMs01855679
Type: Neutral
Formula: C11H22NO6P
SMILES:   P(OCC)(OCC)(=O)CN(C(=O)C)CC(OCC)=O
InChI:   InChI=1/C11H22NO6P/c1-5-16-11(14)8-12(10(4)13)9-19(15,17-6-2)18-7-3/h5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=51.1687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.272 g/mol  logS: -0.78062  SlogP: 0.5514  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15168  Sterimol/B1: 3.18049  Sterimol/B2: 3.48952  Sterimol/B3: 5.27335
  Sterimol/B4: 6.69946  Sterimol/L: 16.1258 
 
 Surface and Volume Properties
  Accessible surface: 566.214  Positive charged surface: 398.644  Negative charged surface: 167.57  Volume: 275.25
  Hydrophobic surface: 405.929  Hydrophilic surface: 160.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.