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DocumentationIdentifier: MM261760
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261760 |
| SMILES |
C#CC(N)CC(O)CNC
|
| InChIKey |
XLURAGCLXJNTBN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141781
Similarity: 0.7982
Similarity to MM141781
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327460
Similarity: 0.7391
Similarity to MM327460
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.85 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79267
Similarity: 0.6754
Similarity to MM79267
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8063 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
