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DocumentationIdentifier: MM221244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221244 |
| SMILES |
C=C(CC#N)OC(C)(C)C
|
| InChIKey |
BCIWMRGTIGICFF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135443
Similarity: 0.8462
Similarity to MM135443
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130173
Similarity: 0.7692
Similarity to MM130173
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262593
Similarity: 0.6814
Similarity to MM262593
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8105 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
