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DocumentationIdentifier: MM385479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385479 |
| SMILES |
C#CC(NC=N)=C(C)C=C
|
| InChIKey |
GGCHSPKEEZTBOA-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180909
Similarity: 0.7015
Similarity to MM180909
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175907
Similarity: 0.7015
Similarity to MM175907
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81853
Similarity: 0.6866
Similarity to MM81853
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8142 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
