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DocumentationIdentifier: MM161258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161258 |
| SMILES |
C=C(C)C(=C)C(=C)CN
|
| InChIKey |
PBDHTBWJZBUBLI-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78812
Similarity: 0.9545
Similarity to MM78812
| Tanimoto metric | 0.9545 |
|---|---|
| Cosine metric | 0.977 |
| Dice metric | 0.9767 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352681
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| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM352575
Similarity: 0.8
Similarity to MM352575
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
