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BACHEM-ZINC02528219

 MMsINC code: MMs00483485
Type: Neutral
Formula: C15H25NO6
SMILES:   O(C(=O)CC(NC(OC(C)(C)C)=O)C(O)=O)C1CCCCC1
InChI:   InChI=1/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=28.2464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.366 g/mol  logS: -2.57863  SlogP: 2.2303  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0770835  Sterimol/B1: 2.57777  Sterimol/B2: 2.7173  Sterimol/B3: 4.94736
  Sterimol/B4: 8.69865  Sterimol/L: 15.6613 
 
 Surface and Volume Properties
  Accessible surface: 596.639  Positive charged surface: 420.996  Negative charged surface: 175.643  Volume: 300.625
  Hydrophobic surface: 399.504  Hydrophilic surface: 197.135
 
 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


MMs00483486
BACHEM-ZINC02528219