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DocumentationIdentifier: MM165912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165912 |
| SMILES |
CCCCCC(C)C#N
|
| InChIKey |
DPGVNSDPGIWYQK-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112767
Similarity: 0.8636
Similarity to MM112767
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404031
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Similarity to MM404031
| Tanimoto metric | 0.8462 |
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| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM315440
Similarity: 0.8148
Similarity to MM315440
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
