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DocumentationIdentifier: MM355273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355273 |
| SMILES |
CC=C(C)C(C)=C(C)C#N
|
| InChIKey |
JJYKWTPZMUYUFZ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301226
Similarity: 0.8476
Similarity to MM301226
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.9175 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161838
Similarity: 0.8447
Similarity to MM161838
| Tanimoto metric | 0.8447 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9158 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362333
Similarity: 0.6916
Similarity to MM362333
| Tanimoto metric | 0.6916 |
|---|---|
| Cosine metric | 0.8256 |
| Dice metric | 0.8177 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
