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DocumentationIdentifier: MM400598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400598 |
| SMILES |
C#CC(CO)C(CC)CO
|
| InChIKey |
XIOFHPSHWFKRDB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297581
Similarity: 0.7434
Similarity to MM297581
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8528 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368487
Similarity: 0.6796
Similarity to MM368487
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8092 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358447
Similarity: 0.6429
Similarity to MM358447
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7826 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
