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DocumentationIdentifier: MM290576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290576 |
| SMILES |
NC(=O)C(=CC=O)CC=O
|
| InChIKey |
SSBUPCXVUWBIDF-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304703
Similarity: 0.8443
Similarity to MM304703
| Tanimoto metric | 0.8443 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9156 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297282
Similarity: 0.7465
Similarity to MM297282
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8548 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295540
Similarity: 0.7397
Similarity to MM295540
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8504 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
