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DocumentationIdentifier: MM305878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305878 |
| SMILES |
C#CCN(C=NC)C(=C)C
|
| InChIKey |
LQDUKEREVMYNKD-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378518
Similarity: 0.6154
Similarity to MM378518
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7628 |
| Dice metric | 0.7619 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307190
Similarity: 0.6129
Similarity to MM307190
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7606 |
| Dice metric | 0.76 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378384
Similarity: 0.6029
Similarity to MM378384
| Tanimoto metric | 0.6029 |
|---|---|
| Cosine metric | 0.7562 |
| Dice metric | 0.7523 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
