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BACHEM-ZINC02391126

 MMsINC code: MMs00483091
Type: Ionized
Formula: C11H20NO4-
SMILES:   O(C(C)(C)C)C(=O)N(C(C(C)C)C(=O)[O-])C
InChI:   InChI=1/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.3763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.284 g/mol  logS: -1.70261  SlogP: 0.6278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151395  Sterimol/B1: 3.12329  Sterimol/B2: 3.4281  Sterimol/B3: 3.86179
  Sterimol/B4: 4.97198  Sterimol/L: 12.7052 
 
 Surface and Volume Properties
  Accessible surface: 456.11  Positive charged surface: 302.086  Negative charged surface: 154.024  Volume: 236.5
  Hydrophobic surface: 290.619  Hydrophilic surface: 165.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00483090
BACHEM-ZINC02391126