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DocumentationIdentifier: MM125060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125060 |
| SMILES |
CC(N)C1NC1CN
|
| InChIKey |
BBDKFRIGXDNDLV-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210540
Similarity: 0.8182
Similarity to MM210540
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210539
Similarity: 0.7857
Similarity to MM210539
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124301
Similarity: 0.7739
Similarity to MM124301
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8725 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
