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DocumentationIdentifier: MM352553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352553 |
| SMILES |
C#CC(=C)C(=C)OCC#N
|
| InChIKey |
VMLIVRYHWROYLN-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173902
Similarity: 0.814
Similarity to MM173902
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352510
Similarity: 0.7447
Similarity to MM352510
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8537 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352551
Similarity: 0.7343
Similarity to MM352551
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8468 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
