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DocumentationIdentifier: MM46699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46699 |
| SMILES |
COCCNCC=CCO
|
| InChIKey |
WPDRJAWMAPRZEM-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
MM213262
Similarity: 0.8689
Similarity to MM213262
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54711
Similarity: 0.7681
Similarity to MM54711
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8689 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61887
Similarity: 0.7213
Similarity to MM61887
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
