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BACHEM-ZINC02169523

 MMsINC code: MMs00482761
Type: Neutral
Formula: C14H23NO6
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)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=33.4942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.339 g/mol  logS: -2.06341  SlogP: 1.8402  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0606571  Sterimol/B1: 3.30404  Sterimol/B2: 3.50079  Sterimol/B3: 4.39019
  Sterimol/B4: 6.96792  Sterimol/L: 15.5492 
 
 Surface and Volume Properties
  Accessible surface: 575.408  Positive charged surface: 403.122  Negative charged surface: 172.286  Volume: 286.375
  Hydrophobic surface: 376.944  Hydrophilic surface: 198.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00482762
BACHEM-ZINC02169523