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DocumentationIdentifier: MM414531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414531 |
| SMILES |
C=CCCNC(C=C)=NC
|
| InChIKey |
VVSNPBIJSWPWRK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM342098
Similarity: 0.7521
Similarity to MM342098
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8585 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167883
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| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166966
Similarity: 0.7157
Similarity to MM166966
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
