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DocumentationIdentifier: MM92919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92919 |
| SMILES |
C=CCOC=CC(O)C#N
|
| InChIKey |
LFBSBRXHBILTGR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49481
Similarity: 0.881
Similarity to MM49481
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92920
Similarity: 0.8043
Similarity to MM92920
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8916 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363477
Similarity: 0.7957
Similarity to MM363477
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8862 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
