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DocumentationIdentifier: MM242642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242642 |
| SMILES |
CC#CC(N)C(C)(C)OC
|
| InChIKey |
HTGAUAWNBJTTKW-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56511
Similarity: 0.7793
Similarity to MM56511
| Tanimoto metric | 0.7793 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231668
Similarity: 0.6604
Similarity to MM231668
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7955 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231736
Similarity: 0.6364
Similarity to MM231736
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7778 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
