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PUBCHEM-ZINC05530184

 MMsINC code: MMs03299554
Type: Neutral
Formula: C10H20NO4+
SMILES:   O(C(=O)CCC(OC)=O)CC[N+](C)(C)C
InChI:   InChI=1/C10H20NO4/c1-11(2,3)7-8-15-10(13)6-5-9(12)14-4/h5-8H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.273 g/mol  logS: 0.06177  SlogP: 0.189  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0554747  Sterimol/B1: 2.1382  Sterimol/B2: 3.71669  Sterimol/B3: 3.89331
  Sterimol/B4: 4.7745  Sterimol/L: 15.8955 
 
 Surface and Volume Properties
  Accessible surface: 463.88  Positive charged surface: 401.586  Negative charged surface: 62.2941  Volume: 221
  Hydrophobic surface: 335.404  Hydrophilic surface: 128.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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.