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DocumentationIdentifier: MM313027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313027 |
| SMILES |
CNCC(C#N)(C#N)C#N
|
| InChIKey |
YXDVXLPCCITXKR-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44933
Similarity: 0.9394
Similarity to MM44933
| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45070
Similarity: 0.7949
Similarity to MM45070
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8857 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42040
Similarity: 0.775
Similarity to MM42040
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8732 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
