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PUBCHEM-ZINC05856395

 MMsINC code: MMs03419882
Type: Neutral
Formula: C13H23NO5
SMILES:   O(C(=O)C1CCC(CC1)CN)C(OC(OCC)=O)C
InChI:   InChI=1/C13H23NO5/c1-3-17-13(16)19-9(2)18-12(15)11-6-4-10(8-14)5-7-11/h9-11H,3-8,14H2,1-2H3/t9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=23.4639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.329 g/mol  logS: -1.49894  SlogP: 1.8138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10442  Sterimol/B1: 2.5208  Sterimol/B2: 2.59244  Sterimol/B3: 4.1296
  Sterimol/B4: 8.52094  Sterimol/L: 13.7554 
 
 Surface and Volume Properties
  Accessible surface: 535.618  Positive charged surface: 400.165  Negative charged surface: 135.453  Volume: 266.25
  Hydrophobic surface: 366.821  Hydrophilic surface: 168.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03419883
PUBCHEM-ZINC05856395