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DocumentationIdentifier: MM24852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24852 |
| SMILES |
C#CC#CC(NC)C(C)O
|
| InChIKey |
BQMKUUYVWMGJPF-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46179
Similarity: 0.8258
Similarity to MM46179
| Tanimoto metric | 0.8258 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9046 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396135
Similarity: 0.707
Similarity to MM396135
| Tanimoto metric | 0.707 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8284 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116967
Similarity: 0.6212
Similarity to MM116967
| Tanimoto metric | 0.6212 |
|---|---|
| Cosine metric | 0.7882 |
| Dice metric | 0.7664 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
