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DocumentationIdentifier: MM454840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454840 |
| SMILES |
CC#CC#CCC#CCN
|
| InChIKey |
MUIQDNZFQZMELV-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214669
Similarity: 0.9535
Similarity to MM214669
| Tanimoto metric | 0.9535 |
|---|---|
| Cosine metric | 0.9765 |
| Dice metric | 0.9762 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56318
Similarity: 0.8298
Similarity to MM56318
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.907 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459008
Similarity: 0.8298
Similarity to MM459008
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.907 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
