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DocumentationIdentifier: MM292703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292703 |
| SMILES |
C#CCC(O)C(N)CNC
|
| InChIKey |
JZFWEGXSWWVYEG-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
MM172030
Similarity: 0.7698
Similarity to MM172030
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348477
Similarity: 0.6
Similarity to MM348477
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7508 |
| Dice metric | 0.75 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81285
Similarity: 0.5794
Similarity to MM81285
| Tanimoto metric | 0.5794 |
|---|---|
| Cosine metric | 0.7612 |
| Dice metric | 0.7337 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
