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DocumentationIdentifier: MM229574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229574 |
| SMILES |
C#CC(C)(C#C)CC(=N)N
|
| InChIKey |
QNSDTQFQRZFLIM-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221953
Similarity: 0.6923
Similarity to MM221953
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8182 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227150
Similarity: 0.6807
Similarity to MM227150
| Tanimoto metric | 0.6807 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.81 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229433
Similarity: 0.6639
Similarity to MM229433
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.798 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
