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IBS-ZINC06645407

 MMsINC code: MMs01958828
Type: Ionized
Formula: C14H23N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N1CCC(CC1)C(=O)[O-])C
InChI:   InChI=1/C14H24N2O5/c1-9(15-13(20)21-14(2,3)4)11(17)16-7-5-10(6-8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=19.2834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.347 g/mol  logS: -1.7805  SlogP: -0.1119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632895  Sterimol/B1: 2.29695  Sterimol/B2: 2.49522  Sterimol/B3: 4.73088
  Sterimol/B4: 5.42167  Sterimol/L: 17.0732 
 
 Surface and Volume Properties
  Accessible surface: 549.94  Positive charged surface: 372.3  Negative charged surface: 177.64  Volume: 286.125
  Hydrophobic surface: 334.913  Hydrophilic surface: 215.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs01958827
IBS-ZINC06645407