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DocumentationIdentifier: MM318017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318017 |
| SMILES |
C=CC(=N)NCC(F)C=C
|
| InChIKey |
HQGDFYDCYXXUMU-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144741
Similarity: 0.7913
Similarity to MM144741
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317500
Similarity: 0.6815
Similarity to MM317500
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.8106 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317115
Similarity: 0.6791
Similarity to MM317115
| Tanimoto metric | 0.6791 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8089 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
