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DocumentationIdentifier: MM360899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360899 |
| SMILES |
C=C(C#N)C(C)=CCC#N
|
| InChIKey |
ORLBSFFPAPCVGR-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175579
Similarity: 0.8969
Similarity to MM175579
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360893
Similarity: 0.7909
Similarity to MM360893
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267814
Similarity: 0.7905
Similarity to MM267814
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.883 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+312 more
