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ASINEX-ZINC04831974

 MMsINC code: MMs00375251
Type: Neutral
Formula: C14H25NO5
SMILES:   O1CCN(CC1)C(CC(OCCC)=O)C(OCCC)=O
InChI:   InChI=1/C14H25NO5/c1-3-7-19-13(16)11-12(14(17)20-8-4-2)15-5-9-18-10-6-15/h12H,3-11H2,1-2H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=76.3608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -1.53613  SlogP: 0.9837  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0671397  Sterimol/B1: 2.99107  Sterimol/B2: 3.30619  Sterimol/B3: 3.9181
  Sterimol/B4: 7.84263  Sterimol/L: 16.9664 
 
 Surface and Volume Properties
  Accessible surface: 575.289  Positive charged surface: 459.602  Negative charged surface: 115.687  Volume: 286.625
  Hydrophobic surface: 469.106  Hydrophilic surface: 106.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00375252
ASINEX-ZINC04831974