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DocumentationIdentifier: MM242366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242366 |
| SMILES |
CC(O)(C#N)C(=O)CC#N
|
| InChIKey |
RRJGPUBAISYYKI-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82663
Similarity: 0.7718
Similarity to MM82663
| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.8712 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242313
Similarity: 0.7134
Similarity to MM242313
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8327 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40296
Similarity: 0.7101
Similarity to MM40296
| Tanimoto metric | 0.7101 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8305 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
