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DocumentationIdentifier: MM356611
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356611 |
| SMILES |
C=C(C=CCC)C(N)CC
|
| InChIKey |
XTRTZTBWPFZLCY-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174346
Similarity: 0.89
Similarity to MM174346
| Tanimoto metric | 0.89 |
|---|---|
| Cosine metric | 0.9434 |
| Dice metric | 0.9418 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163354
Similarity: 0.8
Similarity to MM163354
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356706
Similarity: 0.7845
Similarity to MM356706
| Tanimoto metric | 0.7845 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8792 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+575 more
