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DocumentationIdentifier: MM90365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90365 |
| SMILES |
N#CC#CC(F)C(O)C#N
|
| InChIKey |
KSOARMMZXQPYNM-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50880
Similarity: 0.878
Similarity to MM50880
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86396
Similarity: 0.773
Similarity to MM86396
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.872 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90373
Similarity: 0.7552
Similarity to MM90373
| Tanimoto metric | 0.7552 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8606 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
