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DocumentationIdentifier: MM244750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244750 |
| SMILES |
CC(O)C(C)CC(O)C#N
|
| InChIKey |
ZHOCMDVBLOLSFG-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
MM79659
Similarity: 0.8426
Similarity to MM79659
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9146 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141624
Similarity: 0.7157
Similarity to MM141624
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348317
Similarity: 0.6885
Similarity to MM348317
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8156 |
| Dice metric | 0.8155 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
