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DocumentationIdentifier: MM74045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74045 |
| SMILES |
CC=CNC(=N)C#CCN
|
| InChIKey |
LWCZKALERYJSOV-UHFFFAOYSA-N
|
| MW [Da] |
137.19
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
MM157606
Similarity: 0.8925
Similarity to MM157606
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158563
Similarity: 0.8172
Similarity to MM158563
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63938
Similarity: 0.7905
Similarity to MM63938
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.883 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
