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DocumentationIdentifier: MM54326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54326 |
| SMILES |
C#CC(N)C(C)(C)OC=O
|
| InChIKey |
DLLZLDMZNWWGCL-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
MM69935
Similarity: 0.7007
Similarity to MM69935
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.824 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64653
Similarity: 0.645
Similarity to MM64653
| Tanimoto metric | 0.645 |
|---|---|
| Cosine metric | 0.7855 |
| Dice metric | 0.7842 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233184
Similarity: 0.581
Similarity to MM233184
| Tanimoto metric | 0.581 |
|---|---|
| Cosine metric | 0.7355 |
| Dice metric | 0.735 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
