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DocumentationIdentifier: MM70753
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70753 |
| SMILES |
CN(C)C=NCC#CCO
|
| InChIKey |
XPLHWQPUTWJYST-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154324
Similarity: 0.8088
Similarity to MM154324
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74346
Similarity: 0.7432
Similarity to MM74346
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8527 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453525
Similarity: 0.7284
Similarity to MM453525
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8429 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
