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DocumentationIdentifier: MM317966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317966 |
| SMILES |
C=CC(=O)CCC(O)C#N
|
| InChIKey |
KWKSJAWVURLTJU-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43730
Similarity: 0.7315
Similarity to MM43730
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8449 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317962
Similarity: 0.6639
Similarity to MM317962
| Tanimoto metric | 0.6639 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.798 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317028
Similarity: 0.6585
Similarity to MM317028
| Tanimoto metric | 0.6585 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7941 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
