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BACHEM-ZINC02504758

 MMsINC code: MMs00483181
Type: Ionized
Formula: C12H21N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C12H22N2O5/c1-7(2)9(10(17)13-6-8(15)16)14-11(18)19-12(3,4)5/h7,9H,6H2,1-5H3,(H,13,17)(H,14,18)(H,15,16)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=21.5279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.309 g/mol  logS: -1.98117  SlogP: -0.5982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108842  Sterimol/B1: 2.5122  Sterimol/B2: 2.66511  Sterimol/B3: 4.48188
  Sterimol/B4: 6.67819  Sterimol/L: 15.7338 
 
 Surface and Volume Properties
  Accessible surface: 529.942  Positive charged surface: 339.818  Negative charged surface: 190.125  Volume: 268.25
  Hydrophobic surface: 286.086  Hydrophilic surface: 243.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs00483180
BACHEM-ZINC02504758