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DocumentationIdentifier: MM312431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312431 |
| SMILES |
CCC(CC)(CC#N)OC
|
| InChIKey |
YHRVGLLYESYXSP-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139284
Similarity: 0.9302
Similarity to MM139284
| Tanimoto metric | 0.9302 |
|---|---|
| Cosine metric | 0.9645 |
| Dice metric | 0.9639 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61407
Similarity: 0.8696
Similarity to MM61407
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9302 |
| Dice metric | 0.9302 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139274
Similarity: 0.7093
Similarity to MM139274
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
