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DocumentationIdentifier: MM129894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129894 |
| SMILES |
C=C(C(F)F)C(C)(C)O
|
| InChIKey |
BGELVYLMAXPVIM-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102620
Similarity: 0.7547
Similarity to MM102620
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109135
Similarity: 0.717
Similarity to MM109135
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160769
Similarity: 0.5846
Similarity to MM160769
| Tanimoto metric | 0.5846 |
|---|---|
| Cosine metric | 0.7382 |
| Dice metric | 0.7379 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
