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PUBCHEM-ZINC05782371

 MMsINC code: MMs03383897
Type: Neutral
Formula: C14H25NO5
SMILES:   O(C(=O)CCCCC)C1CN2C(C(O)C1O)C(O)CC2
InChI:   InChI=1/C14H25NO5/c1-2-3-4-5-11(17)20-10-8-15-7-6-9(16)12(15)14(19)13(10)18/h9-10,12-14,16,18-19H,2-8H2,1H3/t9-,10-,12+,13+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=73.1724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -1.54322  SlogP: -0.3509  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0429752  Sterimol/B1: 3.14671  Sterimol/B2: 3.16683  Sterimol/B3: 3.94229
  Sterimol/B4: 5.21109  Sterimol/L: 17.4733 
 
 Surface and Volume Properties
  Accessible surface: 546.734  Positive charged surface: 443.893  Negative charged surface: 102.841  Volume: 279.25
  Hydrophobic surface: 383.375  Hydrophilic surface: 163.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03383898
PUBCHEM-ZINC05782371