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DocumentationIdentifier: MM289851
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289851 |
| SMILES |
N=C(N)C#CCOCCO
|
| InChIKey |
LPFCOTLURDUNRM-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84317
Similarity: 0.8537
Similarity to MM84317
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9218 |
| Dice metric | 0.9211 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289850
Similarity: 0.7931
Similarity to MM289850
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.8846 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289881
Similarity: 0.7582
Similarity to MM289881
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8625 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
