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DocumentationIdentifier: MM133913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133913 |
| SMILES |
C=C(C)OC(=C)C(C)C
|
| InChIKey |
CAFUXZINJNMLIO-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM246364
Similarity: 0.9277
Similarity to MM246364
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246513
Similarity: 0.7778
Similarity to MM246513
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108368
Similarity: 0.7532
Similarity to MM108368
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
