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DocumentationIdentifier: MM364003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364003 |
| SMILES |
C=COCCNC(C)C#N
|
| InChIKey |
CQFNOLATHUWOLD-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43973
Similarity: 0.8481
Similarity to MM43973
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363705
Similarity: 0.7701
Similarity to MM363705
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8701 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43782
Similarity: 0.7468
Similarity to MM43782
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8551 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
