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DocumentationIdentifier: MM145895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145895 |
| SMILES |
CC(N)C#CC(N)CN
|
| InChIKey |
APLVTQIGZKFESU-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170430
Similarity: 0.8438
Similarity to MM170430
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9164 |
| Dice metric | 0.9153 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114444
Similarity: 0.8065
Similarity to MM114444
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114445
Similarity: 0.8065
Similarity to MM114445
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+799 more
