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DocumentationIdentifier: MM329709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329709 |
| SMILES |
C=CC(=N)NC(C=C)CN
|
| InChIKey |
RMYBVNCHPZIIHN-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150022
Similarity: 0.819
Similarity to MM150022
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329303
Similarity: 0.771
Similarity to MM329303
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8707 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328955
Similarity: 0.696
Similarity to MM328955
| Tanimoto metric | 0.696 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8208 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
