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DocumentationIdentifier: MM386302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386302 |
| SMILES |
C=CCC=C(C#N)CC=C
|
| InChIKey |
VLSRAONWAWHGLO-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
MM201741
Similarity: 0.8293
Similarity to MM201741
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386185
Similarity: 0.8172
Similarity to MM386185
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8994 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383289
Similarity: 0.8172
Similarity to MM383289
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8994 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
