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DocumentationIdentifier: MM45626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45626 |
| SMILES |
NC(=O)C#CC#CC=O
|
| InChIKey |
VDONCRDBQKXFCL-UHFFFAOYSA-N
|
| MW [Da] |
121.1
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59574
Similarity: 0.9636
Similarity to MM59574
| Tanimoto metric | 0.9636 |
|---|---|
| Cosine metric | 0.9816 |
| Dice metric | 0.9815 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154792
Similarity: 0.9273
Similarity to MM154792
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.9623 |
| Dice metric | 0.9623 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01963
Similarity: 0.9245
Similarity to MM01963
| Tanimoto metric | 0.9245 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9608 |
| MW: | 107.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
