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DocumentationIdentifier: MM267388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267388 |
| SMILES |
CC(=CC(O)CN)OC=O
|
| InChIKey |
GFHWZGNHJNXGAT-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136421
Similarity: 0.7561
Similarity to MM136421
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159570
Similarity: 0.6748
Similarity to MM159570
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169537
Similarity: 0.6423
Similarity to MM169537
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7822 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
