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DocumentationIdentifier: MM357409
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357409 |
| SMILES |
NCC#CC(N)C(O)CN
|
| InChIKey |
SKYMUBWNBHZUGQ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174553
Similarity: 0.8772
Similarity to MM174553
| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163476
Similarity: 0.7982
Similarity to MM163476
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357723
Similarity: 0.7407
Similarity to MM357723
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8511 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
