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DocumentationIdentifier: MM258812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258812 |
| SMILES |
CN=C(C)NCCC(=N)N
|
| InChIKey |
XMSFIYYOMOVHDD-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152965
Similarity: 0.6848
Similarity to MM152965
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8129 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258456
Similarity: 0.6827
Similarity to MM258456
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.8114 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258457
Similarity: 0.6545
Similarity to MM258457
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.7913 |
| Dice metric | 0.7912 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
