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DocumentationIdentifier: MM229210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229210 |
| SMILES |
C#CC(F)(C#C)CC(C)C
|
| InChIKey |
LTIPFGUQMPPDJS-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130709
Similarity: 0.8652
Similarity to MM130709
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309806
Similarity: 0.77
Similarity to MM309806
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8701 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226626
Similarity: 0.7549
Similarity to MM226626
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8603 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
