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DocumentationIdentifier: MM93233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93233 |
| SMILES |
C#CC(CC(C)N)OC=O
|
| InChIKey |
HAHIYMDJBDDLSU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178091
Similarity: 0.7
Similarity to MM178091
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90536
Similarity: 0.6552
Similarity to MM90536
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7917 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261411
Similarity: 0.5828
Similarity to MM261411
| Tanimoto metric | 0.5828 |
|---|---|
| Cosine metric | 0.7393 |
| Dice metric | 0.7364 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
