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IBS-ZINC01871482

 MMsINC code: MMs01779339
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-/m1/s1

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Potential Energy
Epot(MMFF94)=53.2225 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: 0.178825  Sterimol/B1: 2.02174  Sterimol/B2: 5.05452  Sterimol/B3: 5.1123
  Sterimol/B4: 5.31799  Sterimol/L: 12.5187 
 
 Surface and Volume Properties
  Accessible surface: 479.352  Positive charged surface: 337.011  Negative charged surface: 142.341  Volume: 261.5
  Hydrophobic surface: 302.952  Hydrophilic surface: 176.4
 
 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.