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DocumentationIdentifier: MM69037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69037 |
| SMILES |
COC(C=CCN)=CCO
|
| InChIKey |
KYDPDKUCTFLSEV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200942
Similarity: 0.802
Similarity to MM200942
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383866
Similarity: 0.6891
Similarity to MM383866
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8159 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428683
Similarity: 0.6864
Similarity to MM428683
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8141 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
