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DocumentationIdentifier: MM263658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263658 |
| SMILES |
C=C(C#N)OC(=O)COC
|
| InChIKey |
QNDVNGQUCXIMJN-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142770
Similarity: 0.8559
Similarity to MM142770
| Tanimoto metric | 0.8559 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80728
Similarity: 0.6456
Similarity to MM80728
| Tanimoto metric | 0.6456 |
|---|---|
| Cosine metric | 0.788 |
| Dice metric | 0.7846 |
| MW: | 145.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334379
Similarity: 0.6433
Similarity to MM334379
| Tanimoto metric | 0.6433 |
|---|---|
| Cosine metric | 0.7858 |
| Dice metric | 0.7829 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
