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DocumentationIdentifier: MM15785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15785 |
| SMILES |
C=C(C#N)OC(C#N)C#N
|
| InChIKey |
OSNMWICSKUCJAN-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142401
Similarity: 0.8876
Similarity to MM142401
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15793
Similarity: 0.8315
Similarity to MM15793
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227104
Similarity: 0.7117
Similarity to MM227104
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8316 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
