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DocumentationIdentifier: MM335544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335544 |
| SMILES |
C#CC(C)CCO
|
| InChIKey |
RRURBGUJFHZKAL-UHFFFAOYSA-N
|
| MW [Da] |
98.15
Automatically obtained from RDkit software. |
| LogP |
0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116240
Similarity: 0.8182
Similarity to MM116240
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331841
Similarity: 0.766
Similarity to MM331841
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352634
Similarity: 0.75
Similarity to MM352634
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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