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IBS-ZINC02444340

 MMsINC code: MMs01866571
Type: Ionized
Formula: C13H21N2O5-
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCC(CC1)C(=O)[O-]
InChI:   InChI=1/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=14.2105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.32 g/mol  logS: -1.45329  SlogP: -0.5004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767912  Sterimol/B1: 2.52896  Sterimol/B2: 4.16083  Sterimol/B3: 4.22102
  Sterimol/B4: 5.37011  Sterimol/L: 15.7319 
 
 Surface and Volume Properties
  Accessible surface: 533.315  Positive charged surface: 366.036  Negative charged surface: 167.279  Volume: 271.25
  Hydrophobic surface: 317.955  Hydrophilic surface: 215.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs01866570
IBS-ZINC02444340