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DocumentationIdentifier: MM69593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69593 |
| SMILES |
N#CCOCC(=O)CC#N
|
| InChIKey |
CWXNQPJYIOBHJU-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15864
Similarity: 0.8105
Similarity to MM15864
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8953 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69539
Similarity: 0.77
Similarity to MM69539
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8701 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69472
Similarity: 0.7228
Similarity to MM69472
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8391 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
