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DocumentationIdentifier: MM365483
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365483 |
| SMILES |
C=C(C#N)CCCCCC
|
| InChIKey |
JEKLNUVCTRHZFZ-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
3.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166824
Similarity: 0.9492
Similarity to MM166824
| Tanimoto metric | 0.9492 |
|---|---|
| Cosine metric | 0.9742 |
| Dice metric | 0.9739 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365697
Similarity: 0.918
Similarity to MM365697
| Tanimoto metric | 0.918 |
|---|---|
| Cosine metric | 0.9573 |
| Dice metric | 0.9573 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287152
Similarity: 0.8475
Similarity to MM287152
| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9174 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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