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DocumentationIdentifier: MM349509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349509 |
| SMILES |
C#CCCC(N)C(=N)NC
|
| InChIKey |
XUWGHSYHCCPUGL-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
MM162348
Similarity: 0.7339
Similarity to MM162348
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8465 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292974
Similarity: 0.6387
Similarity to MM292974
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7797 |
| Dice metric | 0.7795 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111746
Similarity: 0.621
Similarity to MM111746
| Tanimoto metric | 0.621 |
|---|---|
| Cosine metric | 0.788 |
| Dice metric | 0.7662 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
