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DocumentationIdentifier: MM406807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406807 |
| SMILES |
CCC(C#N)C(O)CC#N
|
| InChIKey |
SBWGRGDYYNSFDV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348349
Similarity: 0.7944
Similarity to MM348349
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8854 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376510
Similarity: 0.7857
Similarity to MM376510
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.88 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171928
Similarity: 0.7604
Similarity to MM171928
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
