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DocumentationIdentifier: MM384194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384194 |
| SMILES |
C#CC=C(C#N)C=CCO
|
| InChIKey |
IYBFIVUQKIBMPC-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179469
Similarity: 0.7885
Similarity to MM179469
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201042
Similarity: 0.7596
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| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM384218
Similarity: 0.7257
Similarity to MM384218
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.841 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
