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DocumentationIdentifier: MM240453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240453 |
| SMILES |
C#CC=COC(C)(C)CO
|
| InChIKey |
MZNQSSYRRCTQPQ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168239
Similarity: 0.7931
Similarity to MM168239
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60756
Similarity: 0.7396
Similarity to MM60756
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8503 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240344
Similarity: 0.732
Similarity to MM240344
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8452 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+553 more
