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DocumentationIdentifier: MM35314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35314 |
| SMILES |
C#CC(F)(C#C)C#C
|
| InChIKey |
KOONDWWHJKVDMT-UHFFFAOYSA-N
|
| MW [Da] |
106.1
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25784
Similarity: 0.9
Similarity to MM25784
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 96.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139808
Similarity: 0.6557
Similarity to MM139808
| Tanimoto metric | 0.6557 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.7921 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103236
Similarity: 0.6102
Similarity to MM103236
| Tanimoto metric | 0.6102 |
|---|---|
| Cosine metric | 0.7675 |
| Dice metric | 0.7579 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
