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DocumentationIdentifier: MM231377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231377 |
| SMILES |
C=C(OCCO)C(C)(C)C
|
| InChIKey |
VYEJYXDPMTVMSU-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231375
Similarity: 0.7423
Similarity to MM231375
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8521 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231421
Similarity: 0.699
Similarity to MM231421
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231376
Similarity: 0.699
Similarity to MM231376
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+648 more
