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DocumentationIdentifier: MM378720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378720 |
| SMILES |
C=CC(=C)N(C=N)CC#N
|
| InChIKey |
MQQHFENDOBIAEQ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59099
Similarity: 0.7231
Similarity to MM59099
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46239
Similarity: 0.6291
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| Tanimoto metric | 0.6291 |
|---|---|
| Cosine metric | 0.7736 |
| Dice metric | 0.7724 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389321
Similarity: 0.5926
Similarity to MM389321
| Tanimoto metric | 0.5926 |
|---|---|
| Cosine metric | 0.7442 |
| Dice metric | 0.7442 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
