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DocumentationIdentifier: MM87521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87521 |
| SMILES |
COCCC(CC#N)OC
|
| InChIKey |
FCDBGVKMCVRUSE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51214
Similarity: 0.8506
Similarity to MM51214
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45741
Similarity: 0.7816
Similarity to MM45741
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66753
Similarity: 0.7091
Similarity to MM66753
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8298 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
