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BACHEM-ZINC02560744

 MMsINC code: MMs00483868
Type: Neutral
Formula: C13H25NO4
SMILES:   O(C(C)(C)C)C(=O)C(N)CCC(OC(C)(C)C)=O
InChI:   InChI=1/C13H25NO4/c1-12(2,3)17-10(15)8-7-9(14)11(16)18-13(4,5)6/h9H,7-8,14H2,1-6H3/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.346 g/mol  logS: -2.14519  SlogP: 1.7773  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0658105  Sterimol/B1: 1.969  Sterimol/B2: 3.82332  Sterimol/B3: 4.94037
  Sterimol/B4: 5.12849  Sterimol/L: 16.1276 
 
 Surface and Volume Properties
  Accessible surface: 536.853  Positive charged surface: 375.647  Negative charged surface: 161.206  Volume: 267.625
  Hydrophobic surface: 337.862  Hydrophilic surface: 198.991
 
 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: no related molecules available.