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DocumentationIdentifier: MM359302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359302 |
| SMILES |
C#CC(CC)CC(C)CO
|
| InChIKey |
NYZDXLFUBNKJOO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375696
Similarity: 0.8313
Similarity to MM375696
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9079 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332834
Similarity: 0.7931
Similarity to MM332834
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8846 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358800
Similarity: 0.7895
Similarity to MM358800
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+618 more
