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DocumentationIdentifier: MM452518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452518 |
| SMILES |
CC#CCN=CNCCN
|
| InChIKey |
FGDDVWKMVYAYGY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM452551
Similarity: 0.7237
Similarity to MM452551
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8397 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452520
Similarity: 0.6923
Similarity to MM452520
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8182 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365318
Similarity: 0.6667
Similarity to MM365318
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8011 |
| Dice metric | 0.8 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
