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DocumentationIdentifier: MM356147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356147 |
| SMILES |
C=COCC(=O)NCC#N
|
| InChIKey |
NOTDSZSALDDFIR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45915
Similarity: 0.8317
Similarity to MM45915
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355868
Similarity: 0.7456
Similarity to MM355868
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8543 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355913
Similarity: 0.7297
Similarity to MM355913
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8438 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
