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DocumentationIdentifier: MM126445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126445 |
| SMILES |
N=CNCC#CC=O
|
| InChIKey |
FJJVKTNASJGQCW-UHFFFAOYSA-N
|
| MW [Da] |
110.12
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72285
Similarity: 0.8167
Similarity to MM72285
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154621
Similarity: 0.7424
Similarity to MM154621
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100824
Similarity: 0.7347
Similarity to MM100824
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
