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PUBCHEM-ZINC02522952

 MMsINC code: MMs02893391
Type: Neutral
Formula: C10H17NO4
SMILES:   OC(=O)CCC(=O)NCC(=O)C(C)(C)C
InChI:   InChI=1/C10H17NO4/c1-10(2,3)7(12)6-11-8(13)4-5-9(14)15/h4-6H2,1-3H3,(H,11,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=17.2867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.46681  SlogP: 0.5826  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0553925  Sterimol/B1: 2.26759  Sterimol/B2: 3.6236  Sterimol/B3: 3.62472
  Sterimol/B4: 4.51667  Sterimol/L: 15.5367 
 
 Surface and Volume Properties
  Accessible surface: 450.838  Positive charged surface: 296.556  Negative charged surface: 154.281  Volume: 209.625
  Hydrophobic surface: 222.169  Hydrophilic surface: 228.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02893392
PUBCHEM-ZINC02522952