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IBS-ZINC02270464

 MMsINC code: MMs01819919
Type: Neutral
Formula: C13H27N2O6P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(NC(OCC(C)C)=O)C(=O)N
InChI:   InChI=1/C13H27N2O6P/c1-8(2)7-19-13(17)15-12(11(14)16)22(18,20-9(3)4)21-10(5)6/h8-10,12H,7H2,1-6H3,(H2,14,16)(H,15,17)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.341 g/mol  logS: -2.05965  SlogP: 1.1529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126242  Sterimol/B1: 2.51443  Sterimol/B2: 4.56239  Sterimol/B3: 5.30193
  Sterimol/B4: 6.50574  Sterimol/L: 16.4877 
 
 Surface and Volume Properties
  Accessible surface: 616.382  Positive charged surface: 416.348  Negative charged surface: 200.034  Volume: 318
  Hydrophobic surface: 350.842  Hydrophilic surface: 265.54
 
 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: no related molecules available.