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DocumentationIdentifier: MM61332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61332 |
| SMILES |
CCCC(O)(CO)CC#N
|
| InChIKey |
RWTNLJVNMXWRQE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42169
Similarity: 0.75
Similarity to MM42169
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61401
Similarity: 0.7119
Similarity to MM61401
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8317 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61333
Similarity: 0.6765
Similarity to MM61333
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8071 |
| Dice metric | 0.807 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
