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BACHEM-ZINC02169523

 MMsINC code: MMs00482762
Type: Ionized
Formula: C14H22NO6-
SMILES:   O(C(=O)CC(NC(OC(C)(C)C)=O)C(=O)[O-])C1CCCC1
InChI:   InChI=1/C14H23NO6/c1-14(2,3)21-13(19)15-10(12(17)18)8-11(16)20-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,15,19)(H,17,18)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=17.0046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.331 g/mol  logS: -2.32386  SlogP: 0.5055  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131029  Sterimol/B1: 2.12034  Sterimol/B2: 3.06619  Sterimol/B3: 4.84934
  Sterimol/B4: 8.95319  Sterimol/L: 13.3661 
 
 Surface and Volume Properties
  Accessible surface: 538.5  Positive charged surface: 362.338  Negative charged surface: 176.162  Volume: 285.5
  Hydrophobic surface: 349.523  Hydrophilic surface: 188.977
 
 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:


MMs00482761
BACHEM-ZINC02169523