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DocumentationIdentifier: MM27703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27703 |
| SMILES |
CC=C(C#N)OC
|
| InChIKey |
LSCCSYSRTGKKRB-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
MM38414
Similarity: 0.7969
Similarity to MM38414
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116535
Similarity: 0.7727
Similarity to MM116535
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116563
Similarity: 0.7612
Similarity to MM116563
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
