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DocumentationIdentifier: MM313538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313538 |
| SMILES |
CCC(C#N)(C#N)C(C)O
|
| InChIKey |
RSAOHUCSJMJRID-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
MM42581
Similarity: 0.7327
Similarity to MM42581
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313544
Similarity: 0.7119
Similarity to MM313544
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8317 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61744
Similarity: 0.6641
Similarity to MM61744
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7982 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
