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BACHEM-ZINC02522580

 MMsINC code: MMs00483376
Type: Ionized
Formula: C13H23N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(CCCCNC(=O)C)C(=O)[O-]
InChI:   InChI=1/C13H24N2O5/c1-9(16)14-8-6-5-7-10(11(17)18)15-12(19)20-13(2,3)4/h10H,5-8H2,1-4H3,(H,14,16)(H,15,19)(H,17,18)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=8.98687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.336 g/mol  logS: -1.86309  SlogP: -0.064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702763  Sterimol/B1: 3.1748  Sterimol/B2: 3.18173  Sterimol/B3: 4.02945
  Sterimol/B4: 8.48149  Sterimol/L: 15.4603 
 
 Surface and Volume Properties
  Accessible surface: 575.683  Positive charged surface: 383.397  Negative charged surface: 192.286  Volume: 285.625
  Hydrophobic surface: 349.574  Hydrophilic surface: 226.109
 
 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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Parent related molecule:


MMs00483375
BACHEM-ZINC02522580