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DocumentationIdentifier: MM360893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360893 |
| SMILES |
C=CCC=C(C)C(=C)C#N
|
| InChIKey |
MIOUKXWPVAUPNO-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
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: 0.87
Similarity to MM175579
| Tanimoto metric | 0.87 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9305 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360899
Similarity: 0.7909
Similarity to MM360899
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270527
Similarity: 0.7373
Similarity to MM270527
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8488 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
