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DocumentationIdentifier: MM332441
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM332441 |
| SMILES |
C#CC(CCO)CC(C)O
|
| InChIKey |
RMMDOALKJPBMOQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373576
Similarity: 0.8795
Similarity to MM373576
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332017
Similarity: 0.747
Similarity to MM332017
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404592
Similarity: 0.7228
Similarity to MM404592
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8391 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
