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DocumentationIdentifier: MM258324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258324 |
| SMILES |
CN=C(N)CCCC(C)=O
|
| InChIKey |
ACKRQXJAXGEOSV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364957
Similarity: 0.7723
Similarity to MM364957
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8715 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133080
Similarity: 0.7579
Similarity to MM133080
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258692
Similarity: 0.6186
Similarity to MM258692
| Tanimoto metric | 0.6186 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7644 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
