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DocumentationIdentifier: MM382542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382542 |
| SMILES |
C=CC(=CC#N)OCC#N
|
| InChIKey |
JCWGPVGDRSNKCI-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179172
Similarity: 0.8476
Similarity to MM179172
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382538
Similarity: 0.7607
Similarity to MM382538
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8641 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382426
Similarity: 0.7236
Similarity to MM382426
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8396 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
