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PUBCHEM-ZINC05354940

 MMsINC code: MMs03246665
Type: Neutral
Formula: C7H15NO3
SMILES:   OC(=O)C(NC(C)(C)C)CO
InChI:   InChI=1/C7H15NO3/c1-7(2,3)8-5(4-9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.201 g/mol  logS: -0.13241  SlogP: -0.18  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240224  Sterimol/B1: 2.44617  Sterimol/B2: 3.1088  Sterimol/B3: 3.77683
  Sterimol/B4: 5.02103  Sterimol/L: 9.56444 
 
 Surface and Volume Properties
  Accessible surface: 353.311  Positive charged surface: 246.833  Negative charged surface: 106.478  Volume: 162.875
  Hydrophobic surface: 168.334  Hydrophilic surface: 184.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.