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DocumentationIdentifier: MM349885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349885 |
| SMILES |
C#CCOC(C)C(=O)C=C
|
| InChIKey |
CHAKHTXDTDDOQH-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172727
Similarity: 0.8033
Similarity to MM172727
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349678
Similarity: 0.7206
Similarity to MM349678
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8376 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84734
Similarity: 0.7071
Similarity to MM84734
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8285 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
