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DocumentationIdentifier: MM358202
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358202 |
| SMILES |
CCC#CC(C)C(=N)NC
|
| InChIKey |
UBUIMMHMAKZHGA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174631
Similarity: 0.8785
Similarity to MM174631
| Tanimoto metric | 0.8785 |
|---|---|
| Cosine metric | 0.9373 |
| Dice metric | 0.9353 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380260
Similarity: 0.7581
Similarity to MM380260
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8624 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358204
Similarity: 0.7581
Similarity to MM358204
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8624 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
