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IBS-ZINC02434648

 MMsINC code: MMs01863083
Type: Ionized
Formula: C12H23N2O4-
SMILES:   O(CCCNC(=O)NC(CC(C)C)C(=O)[O-])CC
InChI:   InChI=1/C12H24N2O4/c1-4-18-7-5-6-13-12(17)14-10(11(15)16)8-9(2)3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.114216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.326 g/mol  logS: -2.09166  SlogP: -0.1232  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.057376  Sterimol/B1: 2.88651  Sterimol/B2: 4.26311  Sterimol/B3: 4.34041
  Sterimol/B4: 5.49133  Sterimol/L: 16.7372 
 
 Surface and Volume Properties
  Accessible surface: 555.109  Positive charged surface: 398.96  Negative charged surface: 156.149  Volume: 264.625
  Hydrophobic surface: 353.929  Hydrophilic surface: 201.18
 
 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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MMs01863082
IBS-ZINC02434648