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DocumentationIdentifier: MM372429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372429 |
| SMILES |
CCN(C)CC=CCNC
|
| InChIKey |
YCWIRTXTWOSAGL-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405872
Similarity: 0.8909
Similarity to MM405872
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9425 |
| Dice metric | 0.9423 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113520
Similarity: 0.8235
Similarity to MM113520
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199486
Similarity: 0.7636
Similarity to MM199486
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.866 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+603 more
