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DocumentationIdentifier: MM210537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210537 |
| SMILES |
CCC1NC1C(N)CN
|
| InChIKey |
ZMHBLZIJHKZKQW-UHFFFAOYSA-N
|
| MW [Da] |
129.21
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
MM195992
Similarity: 0.8296
Similarity to MM195992
| Tanimoto metric | 0.8296 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9069 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124301
Similarity: 0.8268
Similarity to MM124301
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125059
Similarity: 0.7717
Similarity to MM125059
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
