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BACHEM-ZINC02516940

 MMsINC code: MMs00483301
Type: Neutral
Formula: C14H26N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(CCNC(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C14H26N2O6/c1-13(2,3)21-11(19)15-8-7-9(10(17)18)16-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=29.3699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.37 g/mol  logS: -2.25019  SlogP: 1.8791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527504  Sterimol/B1: 2.72676  Sterimol/B2: 2.81582  Sterimol/B3: 4.1697
  Sterimol/B4: 8.52435  Sterimol/L: 17.118 
 
 Surface and Volume Properties
  Accessible surface: 609.659  Positive charged surface: 419.513  Negative charged surface: 190.146  Volume: 306.875
  Hydrophobic surface: 333.316  Hydrophilic surface: 276.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00483302
BACHEM-ZINC02516940