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DocumentationIdentifier: MM413867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413867 |
| SMILES |
C=CN(C=C)C(=O)C#CC
|
| InChIKey |
AEVWHHRUJOUKGO-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90561
Similarity: 0.7869
Similarity to MM90561
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8807 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359116
Similarity: 0.7823
Similarity to MM359116
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8778 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359151
Similarity: 0.768
Similarity to MM359151
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8688 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
