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DocumentationIdentifier: MM235713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235713 |
| SMILES |
C=C(F)COCCN(C)C
|
| InChIKey |
VGGXVVFBFPULSW-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287197
Similarity: 0.7419
Similarity to MM287197
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8519 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67517
Similarity: 0.6962
Similarity to MM67517
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8209 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152600
Similarity: 0.6835
Similarity to MM152600
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.812 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
