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NCID-ZINC01602655

 MMsINC code: MMs02255467
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(C(=O)NCC(OC(=O)C)C)C)C(=O)C
InChI:   InChI=1/C10H17NO5/c1-6(15-8(3)12)5-11-10(14)7(2)16-9(4)13/h6-7H,5H2,1-4H3,(H,11,14)/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=26.9242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -1.24859  SlogP: 0.0058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468951  Sterimol/B1: 2.44905  Sterimol/B2: 3.0879  Sterimol/B3: 3.35922
  Sterimol/B4: 6.75628  Sterimol/L: 14.6275 
 
 Surface and Volume Properties
  Accessible surface: 486.507  Positive charged surface: 306.39  Negative charged surface: 180.117  Volume: 223.5
  Hydrophobic surface: 326.773  Hydrophilic surface: 159.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.