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DocumentationIdentifier: MM60825
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60825 |
| SMILES |
C#CC(C)(O)CC#CCO
|
| InChIKey |
NXLOFXWWQSIKBX-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138699
Similarity: 0.871
Similarity to MM138699
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240848
Similarity: 0.8218
Similarity to MM240848
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9022 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234201
Similarity: 0.7905
Similarity to MM234201
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.883 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+568 more
