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IBS-ZINC01662383

 MMsINC code: MMs01771726
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)NC(C)(C)C
InChI:   InChI=1/C8H20NO3P/c1-6-11-13(10,12-7-2)9-8(3,4)5/h6-7H2,1-5H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-9.89894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.94472  SlogP: 1.4854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179069  Sterimol/B1: 2.78294  Sterimol/B2: 2.82272  Sterimol/B3: 4.46854
  Sterimol/B4: 6.53166  Sterimol/L: 12.2362 
 
 Surface and Volume Properties
  Accessible surface: 421.427  Positive charged surface: 292.672  Negative charged surface: 128.755  Volume: 207.5
  Hydrophobic surface: 278.147  Hydrophilic surface: 143.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.