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DocumentationIdentifier: MM403787
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403787 |
| SMILES |
C#CC(CNCCO)OC
|
| InChIKey |
MIXSQUCSIFSNSV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64832
Similarity: 0.8947
Similarity to MM64832
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403783
Similarity: 0.8529
Similarity to MM403783
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9206 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403785
Similarity: 0.7818
Similarity to MM403785
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8776 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
