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DocumentationIdentifier: MM135326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135326 |
| SMILES |
C#CCC(C)NC(C)=N
|
| InChIKey |
QKNBXGDXZVBQHT-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272397
Similarity: 0.8384
Similarity to MM272397
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9121 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262156
Similarity: 0.83
Similarity to MM262156
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221878
Similarity: 0.7615
Similarity to MM221878
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
