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NCID-ZINC05885191

 MMsINC code: MMs02509750
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)=66.1975 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: 0.0364903  Sterimol/B1: 3.04926  Sterimol/B2: 3.20455  Sterimol/B3: 4.08351
  Sterimol/B4: 5.01552  Sterimol/L: 18.2974 
 
 Surface and Volume Properties
  Accessible surface: 552.192  Positive charged surface: 443.377  Negative charged surface: 108.814  Volume: 280.125
  Hydrophobic surface: 376.584  Hydrophilic surface: 175.608
 
 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


MMs02509751
NCID-ZINC05885191