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DocumentationIdentifier: MM406568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406568 |
| SMILES |
CCC(C#N)OC=CC#N
|
| InChIKey |
BPQFVCGNUQCXFZ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199534
Similarity: 0.8723
Similarity to MM199534
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406266
Similarity: 0.8235
Similarity to MM406266
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.9032 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406562
Similarity: 0.7736
Similarity to MM406562
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8723 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
