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DocumentationIdentifier: MM142147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142147 |
| SMILES |
C=CC(=O)NC(C)CN
|
| InChIKey |
RTUCPCKYTVYUSV-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM55095
Similarity: 0.8286
Similarity to MM55095
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264320
Similarity: 0.7982
Similarity to MM264320
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264321
Similarity: 0.7982
Similarity to MM264321
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
