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NCID-ZINC01742234

 MMsINC code: MMs02359701
Type: Neutral
Formula: C7H13NO3
SMILES:   OC(=O)C(NC(=O)C)(CC)C
InChI:   InChI=1/C7H13NO3/c1-4-7(3,6(10)11)8-5(2)9/h4H2,1-3H3,(H,8,9)(H,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=30.4789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.6225  SlogP: 0.3758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.395004  Sterimol/B1: 2.10995  Sterimol/B2: 2.67431  Sterimol/B3: 4.64114
  Sterimol/B4: 5.91475  Sterimol/L: 9.7361 
 
 Surface and Volume Properties
  Accessible surface: 342.174  Positive charged surface: 218.2  Negative charged surface: 123.973  Volume: 156
  Hydrophobic surface: 195.985  Hydrophilic surface: 146.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02359702
NCID-ZINC01742234