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DocumentationIdentifier: MM60387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60387 |
| SMILES |
CCC(C)(O)C(C#N)CO
|
| InChIKey |
PXEXLIOSGAYIGL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58701
Similarity: 0.7319
Similarity to MM58701
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8452 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76600
Similarity: 0.6986
Similarity to MM76600
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8226 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60389
Similarity: 0.68
Similarity to MM60389
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8095 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
