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DocumentationIdentifier: MM393215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393215 |
| SMILES |
C#CCNC(CC)C(=N)N
|
| InChIKey |
RDYJJWJEUQBSLK-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
MM162353
Similarity: 0.7165
Similarity to MM162353
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8349 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392938
Similarity: 0.7133
Similarity to MM392938
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8327 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393124
Similarity: 0.68
Similarity to MM393124
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8095 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
