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DocumentationIdentifier: MM460993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460993 |
| SMILES |
CC=CC1NC1C(=O)CO
|
| InChIKey |
RZYHWIZQJDFEKU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460604
Similarity: 0.8649
Similarity to MM460604
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411120
Similarity: 0.6744
Similarity to MM411120
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8056 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390831
Similarity: 0.6341
Similarity to MM390831
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7761 |
| Dice metric | 0.7761 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
