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DocumentationIdentifier: MM68292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68292 |
| SMILES |
C=CC(N)C=CCN(C)C
|
| InChIKey |
IDKPXHSIHTWBEL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79120
Similarity: 0.8028
Similarity to MM79120
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76628
Similarity: 0.7229
Similarity to MM76628
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8392 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73358
Similarity: 0.7079
Similarity to MM73358
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8289 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
