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DocumentationIdentifier: MM304437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304437 |
| SMILES |
N#CC=C(CC#N)OC=O
|
| InChIKey |
QCBOAJUCXNETRI-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304235
Similarity: 0.6985
Similarity to MM304235
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8226 |
| Dice metric | 0.8225 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75414
Similarity: 0.6761
Similarity to MM75414
| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8074 |
| Dice metric | 0.8067 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75378
Similarity: 0.6738
Similarity to MM75378
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8051 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
