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DocumentationIdentifier: MM402342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402342 |
| SMILES |
CCC(CC)CCNC=N
|
| InChIKey |
XKGNEKUKURQECV-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
2.01
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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MM165689
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| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239397
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| Tanimoto metric | 0.7838 |
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| Cosine metric | 0.8804 |
| Dice metric | 0.8788 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291510
Similarity: 0.7342
Similarity to MM291510
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8467 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
