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DocumentationIdentifier: MM25900
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25900 |
| SMILES |
C=C(C)OCC#N
|
| InChIKey |
IDZUJFPUAUMQAH-UHFFFAOYSA-N
|
| MW [Da] |
97.12
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36549
Similarity: 0.7885
Similarity to MM36549
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36441
Similarity: 0.7193
Similarity to MM36441
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113394
Similarity: 0.6949
Similarity to MM113394
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
