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DocumentationIdentifier: MM405988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405988 |
| SMILES |
CCC(CO)OC=CC#N
|
| InChIKey |
MOFQXOKEOYWVDK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73424
Similarity: 0.8173
Similarity to MM73424
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.8998 |
| Dice metric | 0.8995 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168198
Similarity: 0.75
Similarity to MM168198
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405780
Similarity: 0.7451
Similarity to MM405780
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8539 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
