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DocumentationIdentifier: MM447049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447049 |
| SMILES |
C=CCNCCOCCO
|
| InChIKey |
YFTDPWNFUNADCK-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212957
Similarity: 0.8387
Similarity to MM212957
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212871
Similarity: 0.8065
Similarity to MM212871
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446804
Similarity: 0.7576
Similarity to MM446804
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8621 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
