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DocumentationIdentifier: MM289850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289850 |
| SMILES |
N=C(N)C#CCOCCN
|
| InChIKey |
JEYJOUPETKYHPU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.1
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: 0.8519
Similarity to MM84317
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.92 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289851
Similarity: 0.7931
Similarity to MM289851
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.8846 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289881
Similarity: 0.7753
Similarity to MM289881
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8734 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
