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DocumentationIdentifier: MM355499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355499 |
| SMILES |
CC(CCCO)OCC#N
|
| InChIKey |
WKRGBVBNVXUOGR-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155805
Similarity: 0.8571
Similarity to MM155805
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286965
Similarity: 0.7407
Similarity to MM286965
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8511 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355627
Similarity: 0.7253
Similarity to MM355627
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8408 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
