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PUBCHEM-ZINC05351043

 MMsINC code: MMs03245592
Type: Ionized
Formula: C15H23N2O4-
SMILES:   O=C(N1CCCC1C(=O)[O-])C1N(CCC1)C(=O)C(C)(C)C
InChI:   InChI=1/C15H24N2O4/c1-15(2,3)14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)/p-1/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=78.2048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.359 g/mol  logS: -1.69742  SlogP: -0.2356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153449  Sterimol/B1: 2.08269  Sterimol/B2: 3.44573  Sterimol/B3: 5.09011
  Sterimol/B4: 7.66167  Sterimol/L: 13.6539 
 
 Surface and Volume Properties
  Accessible surface: 516.774  Positive charged surface: 347.638  Negative charged surface: 169.136  Volume: 289
  Hydrophobic surface: 362.965  Hydrophilic surface: 153.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03245591
PUBCHEM-ZINC05351043