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DocumentationIdentifier: MM366093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366093 |
| SMILES |
C#CC(=O)OCCOC=C
|
| InChIKey |
DIKRNMAHKWOPHL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48764
Similarity: 0.8214
Similarity to MM48764
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366012
Similarity: 0.7841
Similarity to MM366012
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.879 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36572
Similarity: 0.7024
Similarity to MM36572
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
