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DocumentationIdentifier: MM73342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73342 |
| SMILES |
CC#CC=CC(O)C(C)N
|
| InChIKey |
NSKKHCYOJCLQKV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73345
Similarity: 0.8661
Similarity to MM73345
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355422
Similarity: 0.6929
Similarity to MM355422
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8186 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355715
Similarity: 0.6929
Similarity to MM355715
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8186 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
