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DocumentationIdentifier: MM306371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306371 |
| SMILES |
C=CCC(=CCN)C(=C)F
|
| InChIKey |
FQKWJTNMHUTGRJ-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306278
Similarity: 0.7226
Similarity to MM306278
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.839 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306276
Similarity: 0.6859
Similarity to MM306276
| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8137 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307510
Similarity: 0.6503
Similarity to MM307510
| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7882 |
| Dice metric | 0.7881 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
