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DocumentationIdentifier: MM240602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240602 |
| SMILES |
C#CC=COC(C)(C)C=O
|
| InChIKey |
MKVPZKGGWIRGMB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM138650
Similarity: 0.8222
Similarity to MM138650
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM168390
Similarity: 0.8
Similarity to MM168390
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM240524
Similarity: 0.7327
Similarity to MM240524
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8457 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
