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PUBCHEM-ZINC05857311

 MMsINC code: MMs03420402
Type: Neutral
Formula: C14H20NO9-
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C([NH-])C1OC(=O)C
InChI:   InChI=1/C14H20NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-15H,5H2,1-4H3/q-1/t10-,11-,12+,13+,14+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.0884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.312 g/mol  logS: -1.14062  SlogP: -0.6476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197602  Sterimol/B1: 2.65305  Sterimol/B2: 3.89985  Sterimol/B3: 4.61113
  Sterimol/B4: 9.4532  Sterimol/L: 13.4616 
 
 Surface and Volume Properties
  Accessible surface: 578.835  Positive charged surface: 362.426  Negative charged surface: 216.409  Volume: 301.5
  Hydrophobic surface: 397.862  Hydrophilic surface: 180.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 1  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: no related molecules available.