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DocumentationIdentifier: MM58095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58095 |
| SMILES |
C#CC(C)(N)C(CC)OC
|
| InChIKey |
ZYQSASVGYIVTSK-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
MM58174
Similarity: 0.7702
Similarity to MM58174
| Tanimoto metric | 0.7702 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8702 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49311
Similarity: 0.7205
Similarity to MM49311
| Tanimoto metric | 0.7205 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8375 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239041
Similarity: 0.6667
Similarity to MM239041
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
