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DocumentationIdentifier: MM49381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49381 |
| SMILES |
CC(CC#CCN)NC=O
|
| InChIKey |
XFYBAJAZNGVAKL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301359
Similarity: 0.8605
Similarity to MM301359
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304805
Similarity: 0.8352
Similarity to MM304805
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9102 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82776
Similarity: 0.7674
Similarity to MM82776
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
