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DocumentationIdentifier: MM170731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170731 |
| SMILES |
CCC(N)C#CC=CF
|
| InChIKey |
GOWDWBWCVARIFY-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282999
Similarity: 0.8736
Similarity to MM282999
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282976
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| Tanimoto metric | 0.8444 |
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| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM77677
Similarity: 0.8352
Similarity to MM77677
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+797 more
