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DocumentationIdentifier: MM177885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177885 |
| SMILES |
CNC(CC=O)CC=O
|
| InChIKey |
QZAWTIBHPBCICA-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115956
Similarity: 0.9298
Similarity to MM115956
| Tanimoto metric | 0.9298 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9636 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78831
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Similarity to MM78831
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM177811
Similarity: 0.7067
Similarity to MM177811
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8281 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
