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DocumentationIdentifier: MM87056
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87056 |
| SMILES |
C#CCC(=N)NCCOC
|
| InChIKey |
VNMKMBHJPAFRLU-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156645
Similarity: 0.8454
Similarity to MM156645
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95636
Similarity: 0.7321
Similarity to MM95636
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8454 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364704
Similarity: 0.7196
Similarity to MM364704
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.837 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
