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DocumentationIdentifier: MM91632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91632 |
| SMILES |
CC(C#N)COC=CC=O
|
| InChIKey |
PPQHGWUOCWZJNW-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167282
Similarity: 0.825
Similarity to MM167282
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56286
Similarity: 0.7875
Similarity to MM56286
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405224
Similarity: 0.75
Similarity to MM405224
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8571 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
