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DocumentationIdentifier: MM65234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65234 |
| SMILES |
C=CCCNC(C#N)C=O
|
| InChIKey |
IXTYPDGHRPHYDR-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63701
Similarity: 0.8316
Similarity to MM63701
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307109
Similarity: 0.7596
Similarity to MM307109
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8634 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313843
Similarity: 0.7054
Similarity to MM313843
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8272 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
