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DocumentationIdentifier: MM313146
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313146 |
| SMILES |
C#CC(C#C)(C#C)COC
|
| InChIKey |
AUJNELACIAPVOW-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139627
Similarity: 0.9394
Similarity to MM139627
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309743
Similarity: 0.8052
Similarity to MM309743
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8921 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309779
Similarity: 0.7654
Similarity to MM309779
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8671 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
