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DocumentationIdentifier: MM379724
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379724 |
| SMILES |
CCC#CC(CO)NC=N
|
| InChIKey |
JGDRFYLNXOGSPM-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178361
Similarity: 0.8654
Similarity to MM178361
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379851
Similarity: 0.7317
Similarity to MM379851
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8451 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389528
Similarity: 0.7317
Similarity to MM389528
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8451 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
