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DocumentationIdentifier: MM93975
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93975 |
| SMILES |
CCC(O)C(CC#N)OC
|
| InChIKey |
ARPCFHFYTZAJBS-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
MM179646
Similarity: 0.8396
Similarity to MM179646
| Tanimoto metric | 0.8396 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9128 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49975
Similarity: 0.7411
Similarity to MM49975
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8513 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94043
Similarity: 0.7177
Similarity to MM94043
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8357 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
