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BACHEM-ZINC02561060

 MMsINC code: MMs00484147
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(=O)C(NC(=O)C(N)C(CC)C)CC(C)C)C
InChI:   InChI=1/C13H26N2O3/c1-6-9(4)11(14)12(16)15-10(7-8(2)3)13(17)18-5/h8-11H,6-7,14H2,1-5H3,(H,15,16)/t9-,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=66.2563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.66803  SlogP: 1.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14794  Sterimol/B1: 3.06656  Sterimol/B2: 4.88935  Sterimol/B3: 4.90058
  Sterimol/B4: 5.94148  Sterimol/L: 13.8601 
 
 Surface and Volume Properties
  Accessible surface: 527.074  Positive charged surface: 388.888  Negative charged surface: 138.186  Volume: 273.875
  Hydrophobic surface: 347.932  Hydrophilic surface: 179.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00484148
BACHEM-ZINC02561060