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DocumentationIdentifier: MM142272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142272 |
| SMILES |
C=CC(C)NC(=N)CN
|
| InChIKey |
IJYHQBXIGGWDMM-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262709
Similarity: 0.8431
Similarity to MM262709
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88082
Similarity: 0.7963
Similarity to MM88082
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329303
Similarity: 0.7414
Similarity to MM329303
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
