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BACHEM-ZINC02555031

 MMsINC code: MMs00483618
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(C(C)(C)C)C(=O)NCCCCC(N)C(OC)=O
InChI:   InChI=1/C12H24N2O4/c1-12(2,3)18-11(16)14-8-6-5-7-9(13)10(15)17-4/h9H,5-8,13H2,1-4H3,(H,14,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=36.1638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.5264  SlogP: 1.1817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357962  Sterimol/B1: 2.84368  Sterimol/B2: 3.00925  Sterimol/B3: 3.90305
  Sterimol/B4: 5.06464  Sterimol/L: 18.5344 
 
 Surface and Volume Properties
  Accessible surface: 552.159  Positive charged surface: 420.672  Negative charged surface: 131.486  Volume: 265.125
  Hydrophobic surface: 359.718  Hydrophilic surface: 192.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.