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DocumentationIdentifier: MM365183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365183 |
| SMILES |
CCC(=N)NCCCC#N
|
| InChIKey |
DUBHSKFJSRUFDL-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355899
Similarity: 0.8043
Similarity to MM355899
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8916 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166440
Similarity: 0.8
Similarity to MM166440
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291790
Similarity: 0.7442
Similarity to MM291790
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8533 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+628 more
