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DocumentationIdentifier: MM58198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58198 |
| SMILES |
CC(C)(C#CCN)OC=O
|
| InChIKey |
UADIFAYRUAKDQM-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
MM158402
Similarity: 0.7745
Similarity to MM158402
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59193
Similarity: 0.6838
Similarity to MM59193
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8127 |
| Dice metric | 0.8122 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57913
Similarity: 0.6583
Similarity to MM57913
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.794 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
