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MAYBRIDGE-ZINC04344325

 MMsINC code: MMs02169725
Type: Neutral
Formula: C13H26N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(C(CC)C)C(=O)NCC
InChI:   InChI=1/C13H26N2O3/c1-7-9(3)10(11(16)14-8-2)15-12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)(H,15,17)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=37.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.56731  SlogP: 2.0619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953267  Sterimol/B1: 1.99589  Sterimol/B2: 2.82382  Sterimol/B3: 4.34618
  Sterimol/B4: 7.45763  Sterimol/L: 15.4742 
 
 Surface and Volume Properties
  Accessible surface: 523.345  Positive charged surface: 374.352  Negative charged surface: 148.993  Volume: 272.125
  Hydrophobic surface: 345.172  Hydrophilic surface: 178.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.