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DocumentationIdentifier: MM69471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69471 |
| SMILES |
CCCC(=O)COCC#N
|
| InChIKey |
DBZQFQGFSACIGK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156107
Similarity: 0.8068
Similarity to MM156107
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291908
Similarity: 0.7474
Similarity to MM291908
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8554 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83161
Similarity: 0.7245
Similarity to MM83161
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8402 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
