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DocumentationIdentifier: MM72244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72244 |
| SMILES |
C#CC(C#C)C(O)C(C)N
|
| InChIKey |
OSQMEWYQMMWMHK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73560
Similarity: 0.8974
Similarity to MM73560
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39374
Similarity: 0.7554
Similarity to MM39374
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8607 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73553
Similarity: 0.7192
Similarity to MM73553
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8367 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
