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DocumentationIdentifier: MM377547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377547 |
| SMILES |
CNCC(C=CCO)OC
|
| InChIKey |
POBIPLZLQWLQMX-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
MM281391
Similarity: 0.7615
Similarity to MM281391
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8646 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81028
Similarity: 0.7417
Similarity to MM81028
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8517 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377674
Similarity: 0.7143
Similarity to MM377674
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8333 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
