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DocumentationIdentifier: MM449497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM449497 |
| SMILES |
N#CCC(=O)C(C=O)C=O
|
| InChIKey |
LNJXWTFZTABHLJ-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02893
Similarity: 0.907
Similarity to MM02893
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242362
Similarity: 0.729
Similarity to MM242362
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8432 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442694
Similarity: 0.6977
Similarity to MM442694
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
