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DocumentationIdentifier: MM229433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229433 |
| SMILES |
C#CC(C)(CC)CC(=N)N
|
| InChIKey |
AKJUXIHKNSNFPF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150094
Similarity: 0.7636
Similarity to MM150094
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229574
Similarity: 0.6639
Similarity to MM229574
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.798 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272622
Similarity: 0.6462
Similarity to MM272622
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.785 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
