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DocumentationIdentifier: MM292499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292499 |
| SMILES |
CCC#CC=C(C)NC=O
|
| InChIKey |
QGYNCHPJIDMRPZ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45103
Similarity: 0.7727
Similarity to MM45103
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8718 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292523
Similarity: 0.7477
Similarity to MM292523
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8557 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292500
Similarity: 0.7304
Similarity to MM292500
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8442 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
