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DocumentationIdentifier: MM291864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291864 |
| SMILES |
C=C(CCC)CCCC#N
|
| InChIKey |
IVHMUJGQLJCVGS-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 |
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MM166567
Similarity: 0.9636
Similarity to MM166567
| Tanimoto metric | 0.9636 |
|---|---|
| Cosine metric | 0.9816 |
| Dice metric | 0.9815 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292254
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| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9138 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM364929
Similarity: 0.8361
Similarity to MM364929
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9107 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
