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DocumentationIdentifier: MM84542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84542 |
| SMILES |
CC(OCC#N)C(O)C#N
|
| InChIKey |
JJNHYGUWWKVHOA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.2
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
|
MM268384
Similarity: 0.7672
Similarity to MM268384
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8683 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94191
Similarity: 0.7623
Similarity to MM94191
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8651 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
