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DocumentationIdentifier: MM404562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404562 |
| SMILES |
C#CCOCC(C#C)C#C
|
| InChIKey |
LKPUEWMTWGETQT-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
MM166323
Similarity: 0.8769
Similarity to MM166323
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199395
Similarity: 0.8615
Similarity to MM199395
| Tanimoto metric | 0.8615 |
|---|---|
| Cosine metric | 0.9282 |
| Dice metric | 0.9256 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404512
Similarity: 0.7887
Similarity to MM404512
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8821 |
| Dice metric | 0.8819 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
