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DocumentationIdentifier: MM225001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225001 |
| SMILES |
C#CC(=C)COC(C)(C)C
|
| InChIKey |
FZSAWFGGPZVFEO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144779
Similarity: 0.8571
Similarity to MM144779
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130443
Similarity: 0.7262
Similarity to MM130443
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113421
Similarity: 0.7024
Similarity to MM113421
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
