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DocumentationIdentifier: MM358763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358763 |
| SMILES |
C#CC#CC(=N)NCCC
|
| InChIKey |
ZEZQZOIINXGMBR-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157544
Similarity: 0.8404
Similarity to MM157544
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158542
Similarity: 0.8191
Similarity to MM158542
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279634
Similarity: 0.7596
Similarity to MM279634
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8634 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
