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DocumentationIdentifier: MM231430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231430 |
| SMILES |
C#CCNC(=N)C(C)(C)N
|
| InChIKey |
DXPRIYHJXVOXJZ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162575
Similarity: 0.7698
Similarity to MM162575
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89971
Similarity: 0.6689
Similarity to MM89971
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8016 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231365
Similarity: 0.6645
Similarity to MM231365
| Tanimoto metric | 0.6645 |
|---|---|
| Cosine metric | 0.7984 |
| Dice metric | 0.7984 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
