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DocumentationIdentifier: MM55961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55961 |
| SMILES |
COCOCOCC#N
|
| InChIKey |
BJUWYDLSJIQNEB-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447189
Similarity: 1
Similarity to MM447189
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27866
Similarity: 0.7442
Similarity to MM27866
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39136
Similarity: 0.6977
Similarity to MM39136
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
