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DocumentationIdentifier: MM167105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167105 |
| SMILES |
CC=CCCC(C)CN
|
| InChIKey |
CCVZTHSFBUKLFG-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367467
Similarity: 0.9655
Similarity to MM367467
| Tanimoto metric | 0.9655 |
|---|---|
| Cosine metric | 0.9826 |
| Dice metric | 0.9825 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404578
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367843
Similarity: 0.8485
Similarity to MM367843
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
