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DocumentationIdentifier: MM213594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213594 |
| SMILES |
CCN=CNCCNC
|
| InChIKey |
KTVXHQAYDOKTJS-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126008
Similarity: 0.8913
Similarity to MM126008
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
| Dice metric | 0.9425 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214725
Similarity: 0.8367
Similarity to MM214725
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9111 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88724
Similarity: 0.7931
Similarity to MM88724
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
