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DocumentationIdentifier: MM26293
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26293 |
| SMILES |
C#CCC(C#CCO)NC
|
| InChIKey |
ROIBAMAGEWWHRB-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431571
Similarity: 0.7167
Similarity to MM431571
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.835 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26006
Similarity: 0.7019
Similarity to MM26006
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8249 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46846
Similarity: 0.7009
Similarity to MM46846
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8241 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
