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PUBCHEM-ZINC01529575

 MMsINC code: MMs02812934
Type: Ionized
Formula: C10H19NO4
SMILES:   O(C(CC(=O)[O-])C[N+](C)(C)C)C(=O)CC
InChI:   InChI=1/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.11356  SlogP: -0.8456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.159651  Sterimol/B1: 2.45444  Sterimol/B2: 3.30578  Sterimol/B3: 3.38538
  Sterimol/B4: 7.77057  Sterimol/L: 11.8656 
 
 Surface and Volume Properties
  Accessible surface: 430.182  Positive charged surface: 324.188  Negative charged surface: 105.994  Volume: 220.5
  Hydrophobic surface: 260.214  Hydrophilic surface: 169.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 1
  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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Parent related molecule:


MMs02812933
PUBCHEM-ZINC01529575