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DocumentationIdentifier: MM264317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264317 |
| SMILES |
CC=CC(=N)NC(C)CN
|
| InChIKey |
QVKJXTYNCOPDSU-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328955
Similarity: 0.7565
Similarity to MM328955
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8614 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135835
Similarity: 0.717
Similarity to MM135835
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237557
Similarity: 0.6724
Similarity to MM237557
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8041 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
