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DocumentationIdentifier: MM291381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291381 |
| SMILES |
CCCCCC(O)CC#N
|
| InChIKey |
CNXAYZCPQRIELB-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291382
Similarity: 0.8551
Similarity to MM291382
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9219 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399801
Similarity: 0.8462
Similarity to MM399801
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9178 |
| Dice metric | 0.9167 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250538
Similarity: 0.8356
Similarity to MM250538
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9104 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
