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DocumentationIdentifier: MM231421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231421 |
| SMILES |
C=CCOC(=C)C(C)(C)C
|
| InChIKey |
JLRHHSUWCLBRGR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162530
Similarity: 0.8409
Similarity to MM162530
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231375
Similarity: 0.7708
Similarity to MM231375
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8706 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231377
Similarity: 0.699
Similarity to MM231377
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+588 more
