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DocumentationIdentifier: MM420653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420653 |
| SMILES |
N#CC=CCC(C=O)=CN
|
| InChIKey |
GKRUICVJVCDOGR-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420042
Similarity: 0.7315
Similarity to MM420042
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8449 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346339
Similarity: 0.7297
Similarity to MM346339
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8438 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49260
Similarity: 0.7273
Similarity to MM49260
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
