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DocumentationIdentifier: MM150212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150212 |
| SMILES |
N#CCC(=O)C1NC1CF
|
| InChIKey |
UXDAAXCQJLJCJO-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146520
Similarity: 0.7455
Similarity to MM146520
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368678
Similarity: 0.7355
Similarity to MM368678
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8476 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266536
Similarity: 0.6885
Similarity to MM266536
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
