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DocumentationIdentifier: MM383709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383709 |
| SMILES |
COC(C=CCF)=CCN
|
| InChIKey |
GULXCLQOEKNRAH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200944
Similarity: 0.7547
Similarity to MM200944
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67261
Similarity: 0.6967
Similarity to MM67261
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8213 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200942
Similarity: 0.6549
Similarity to MM200942
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7914 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
