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DocumentationIdentifier: MM362932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362932 |
| SMILES |
NC(C=CCCCO)CO
|
| InChIKey |
YQEDETSIOVQHFD-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363206
Similarity: 0.825
Similarity to MM363206
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.9041 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362928
Similarity: 0.825
Similarity to MM362928
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.9041 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76801
Similarity: 0.8056
Similarity to MM76801
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+617 more
