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DocumentationIdentifier: MM66487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66487 |
| SMILES |
C=CN=CNCC#CC=O
|
| InChIKey |
SRZNFRJEDUDBJK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72285
Similarity: 0.8333
Similarity to MM72285
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450686
Similarity: 0.75
Similarity to MM450686
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8571 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66539
Similarity: 0.6944
Similarity to MM66539
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
