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DocumentationIdentifier: MM382903
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382903 |
| SMILES |
C#CC=C(C#C)CNC=O
|
| InChIKey |
WBSPWICGWUIXOG-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54913
Similarity: 0.8476
Similarity to MM54913
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382720
Similarity: 0.7731
Similarity to MM382720
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293955
Similarity: 0.7438
Similarity to MM293955
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8531 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
