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DocumentationIdentifier: MM338558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338558 |
| SMILES |
C=C(C#N)C=C(CC)CC
|
| InChIKey |
WJFANYPNEYAFEP-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 |
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MM143792
Similarity: 0.8851
Similarity to MM143792
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267784
Similarity: 0.7745
Similarity to MM267784
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8729 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267814
Similarity: 0.7624
Similarity to MM267814
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+562 more
