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DocumentationIdentifier: MM355646
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355646 |
| SMILES |
C#CC(N)C(O)C=CCO
|
| InChIKey |
GZPKXHOUSJSLFU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38586
Similarity: 0.7872
Similarity to MM38586
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.881 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355715
Similarity: 0.7746
Similarity to MM355715
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.873 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38565
Similarity: 0.7365
Similarity to MM38565
| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
