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DocumentationIdentifier: MM460609
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460609 |
| SMILES |
C#CC1NC1C(=O)CO
|
| InChIKey |
VBTFLLFIOOFORK-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM461052
Similarity: 0.8522
Similarity to MM461052
| Tanimoto metric | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395205
Similarity: 0.7194
Similarity to MM395205
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460553
Similarity: 0.7143
Similarity to MM460553
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
