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IBS-ZINC01871481

 MMsINC code: MMs01779338
Type: Neutral
Formula: C11H26NO3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(N)CC(C)C
InChI:   InChI=1/C11H26NO3P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-11H,7,12H2,1-6H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=44.5662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.307 g/mol  logS: -2.05173  SlogP: 2.2902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146372  Sterimol/B1: 2.07097  Sterimol/B2: 3.67876  Sterimol/B3: 5.01713
  Sterimol/B4: 6.5639  Sterimol/L: 13.4632 
 
 Surface and Volume Properties
  Accessible surface: 508.833  Positive charged surface: 356.535  Negative charged surface: 152.297  Volume: 261.625
  Hydrophobic surface: 322.821  Hydrophilic surface: 186.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.