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DocumentationIdentifier: MM409408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409408 |
| SMILES |
C=CN(C=O)CC#CCN
|
| InChIKey |
XROXPPBCHYKXPA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM409620
Similarity: 0.7879
Similarity to MM409620
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8814 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409551
Similarity: 0.7549
Similarity to MM409551
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8603 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409401
Similarity: 0.7476
Similarity to MM409401
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8556 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
