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DocumentationIdentifier: MM223856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223856 |
| SMILES |
C#CC(=C)C(O)C(C)(C)N
|
| InChIKey |
AOAHVBYOISRZAF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81632
Similarity: 0.7219
Similarity to MM81632
| Tanimoto metric | 0.7219 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8385 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349401
Similarity: 0.6373
Similarity to MM349401
| Tanimoto metric | 0.6373 |
|---|---|
| Cosine metric | 0.7785 |
| Dice metric | 0.7784 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35651
Similarity: 0.6337
Similarity to MM35651
| Tanimoto metric | 0.6337 |
|---|---|
| Cosine metric | 0.776 |
| Dice metric | 0.7758 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
