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DocumentationIdentifier: MM434303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434303 |
| SMILES |
C#CCC(=N)NCC1CC1
|
| InChIKey |
BRILSSACIUGNIY-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209094
Similarity: 0.8182
Similarity to MM209094
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251021
Similarity: 0.7818
Similarity to MM251021
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434034
Similarity: 0.7759
Similarity to MM434034
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8738 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
