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DocumentationIdentifier: MM305653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305653 |
| SMILES |
CCCC=CC(N)C(C)C
|
| InChIKey |
BDVCGJXQVHVRJY-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163116
Similarity: 0.9143
Similarity to MM163116
| Tanimoto metric | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259754
Similarity: 0.875
Similarity to MM259754
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9333 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305655
Similarity: 0.8462
Similarity to MM305655
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9167 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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