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DocumentationIdentifier: MM300509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300509 |
| SMILES |
CC(C(N)=O)=C(CN)CN
|
| InChIKey |
WSVQGMRSCHUQDE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161782
Similarity: 0.8969
Similarity to MM161782
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150971
Similarity: 0.732
Similarity to MM150971
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8452 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35139
Similarity: 0.7248
Similarity to MM35139
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8404 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
