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DocumentationIdentifier: MM41768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41768 |
| SMILES |
C#CC(=O)C(F)(F)C#C
|
| InChIKey |
ALUSLNNOXMMTEN-UHFFFAOYSA-N
|
| MW [Da] |
128.08
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28397
Similarity: 0.7315
Similarity to MM28397
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8449 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15696
Similarity: 0.6852
Similarity to MM15696
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 110.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132240
Similarity: 0.594
Similarity to MM132240
| Tanimoto metric | 0.594 |
|---|---|
| Cosine metric | 0.7454 |
| Dice metric | 0.7453 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
