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DocumentationIdentifier: MM40695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40695 |
| SMILES |
C#CC(N)C(C)(O)COC
|
| InChIKey |
NPSGOFJAJGBKEA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132592
Similarity: 0.6994
Similarity to MM132592
| Tanimoto metric | 0.6994 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8231 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172263
Similarity: 0.6442
Similarity to MM172263
| Tanimoto metric | 0.6442 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.7836 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235029
Similarity: 0.615
Similarity to MM235029
| Tanimoto metric | 0.615 |
|---|---|
| Cosine metric | 0.764 |
| Dice metric | 0.7616 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
