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DocumentationIdentifier: MM378664
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378664 |
| SMILES |
C=C(C#N)C(C#N)CC#N
|
| InChIKey |
FFWCTURZNLZWNR-UHFFFAOYSA-N
|
| MW [Da] |
131.14
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
MM172758
Similarity: 0.7525
Similarity to MM172758
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378660
Similarity: 0.7521
Similarity to MM378660
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8585 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389297
Similarity: 0.688
Similarity to MM389297
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8152 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
