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DocumentationIdentifier: MM48639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48639 |
| SMILES |
COC(=O)COCC#N
|
| InChIKey |
JKBRIHFTZWHRDW-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69489
Similarity: 0.8947
Similarity to MM69489
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69613
Similarity: 0.7816
Similarity to MM69613
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433981
Similarity: 0.7794
Similarity to MM433981
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 115.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
