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DocumentationIdentifier: MM63701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63701 |
| SMILES |
CCCNC(C#N)C=O
|
| InChIKey |
XYOJHHJVRADOMQ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307109
Similarity: 0.8977
Similarity to MM307109
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65234
Similarity: 0.8316
Similarity to MM65234
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313843
Similarity: 0.8229
Similarity to MM313843
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
