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DocumentationIdentifier: MM84511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84511 |
| SMILES |
CC(OCCO)C(O)C#N
|
| InChIKey |
TUDOPDYFPOHEIW-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50010
Similarity: 0.8641
Similarity to MM50010
| Tanimoto metric | 0.8641 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9271 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362465
Similarity: 0.823
Similarity to MM362465
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.9029 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268384
Similarity: 0.7982
Similarity to MM268384
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8878 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
