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DocumentationIdentifier: MM167860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167860 |
| SMILES |
N#CCNCC(F)=CF
|
| InChIKey |
LTHWHTKBUWEQPR-UHFFFAOYSA-N
|
| MW [Da] |
132.11
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM320386
Similarity: 0.7476
Similarity to MM320386
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265020
Similarity: 0.7064
Similarity to MM265020
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167768
Similarity: 0.6941
Similarity to MM167768
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8214 |
| Dice metric | 0.8194 |
| MW: | 139.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
