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DocumentationIdentifier: MM242116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242116 |
| SMILES |
C#CC(C)(N)C(C)OC=C
|
| InChIKey |
LRDWQUZJRUMQTB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM58174
Similarity: 0.8105
Similarity to MM58174
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242098
Similarity: 0.6813
Similarity to MM242098
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8105 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172294
Similarity: 0.6797
Similarity to MM172294
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8093 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
