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DocumentationIdentifier: MM334371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334371 |
| SMILES |
C=C(CO)OC(C=O)=CN
|
| InChIKey |
ATWPYKCHUWWKCF-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44730
Similarity: 0.7561
Similarity to MM44730
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334476
Similarity: 0.6291
Similarity to MM334476
| Tanimoto metric | 0.6291 |
|---|---|
| Cosine metric | 0.7724 |
| Dice metric | 0.7724 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276309
Similarity: 0.6267
Similarity to MM276309
| Tanimoto metric | 0.6267 |
|---|---|
| Cosine metric | 0.7705 |
| Dice metric | 0.7705 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
